CAS 21829-25-4 Nifedipine molecular structure

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CAS RN: 21829-25-4

Nifedipine

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8 package records5 with current stock2 grade groups

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Batch No.	Package	Availability	Inquiry
Batchno.20260604	100g	Out of stock	Inquiry
Batchno.20250219	25g	Out of stock	Inquiry
Batchno.20251223	500g	Out of stock	Inquiry

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250412	100g	In stock	Shanghai, Shenzhen	Inquiry
Batchno.20260301	1g	In stock	Shanghai, Shenzhen, Tianjin	Inquiry
Batchno.20260207	1kg	In stock	Shanghai	Inquiry
Batchno.20260416	25g	In stock	Shanghai, Shenzhen	Inquiry
Batchno.20250916	500g	In stock	Shanghai	Inquiry

Product code: SSC-105242

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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

Pack sizes on record: 5g, 10g, 25g, 100g, 500g, 1000g
Available purity: ≥98%
Inventory rows with stock: 6
Bulk packaging: confirmed by inquiry

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Available Pack Sizes & Stock

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Recorded sizes, purity and stock details for CAS 21829-25-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
5g	≥98%	5 In Stock	Hong Kong	Inquiry
10g	≥98%	5 In Stock	Beijing	Inquiry
25g	≥98%	5 In Stock	Beijing	Inquiry
100g	≥98%	5 In Stock	Shenzhen	Inquiry
500g	≥98%	3 In Stock	Shanghai	Inquiry
1000g	≥98%	3 In Stock	Beijing	Inquiry

21829-25-4 / dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Standard CAS: 21829-25-4 Multi CAS: No

Basic Information Physical Properties Computed Properties

Basic Information

CAS

21829-25-4

Multi CAS

Molecular Formula

C17H18N2O6

Molecular Weight

346.300000

Exact Mass

346.116486

SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3

InChIKey

HYIMSNHJOBLJNT-UHFFFAOYSA-N

Physical Properties

Melting Point

342 to 345 °F (NTP, 1992) 172-174 °C 172 - 174 °C

Physical Description

Nifedipine appears as odorless yellow crystals or powder. Tasteless. (NTP, 1992) Solid

Appearance

Yellow crystals

State

Solid

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.29

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

88.41

TPSA

107.77

LogP / Solubility

WLOGP

2.18

MLOGP

1.93

XLogP3

2.2

Consensus LogP

2.1

Log S (ESOL)

-3.27

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.97

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-4.2

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.29

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Yes

Synthetic Accessibility

2.5

Applications of CAS 21829-25-4

This compound is commonly used in pharmaceutical research and drug discovery, life science and biochemical research, biochemistry and reagent applications, materials science and advanced materials development, laboratory reagent and synthesis applications. Starshine Chemical supplies CAS 21829-25-4 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Safety Information (GHS)

Pictogram(s): GHS07, GHS08. Signal word: Warning.

H302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral]
H361 (25.8%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

Precautionary statements: P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)

Request the SDS (Safety Data Sheet) for full hazard and safety documentation.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. Avoid: Light Sensitive. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.