[email protected]
CAS 1421372-67-9 1,4-BenzenediaMine, N1-[2-(diMethylaMino)ethyl]-5-Methoxy-N1-Methyl-N4-[4-(1-Methyl-1H-indol-3-yl)-2-pyriMidinyl]-2-nitro- molecular structure lightbox
CAS RN: 1421372-67-9

1,4-BenzenediaMine, N1-[2-(diMethylaMino)ethyl]-5-Methoxy-N1-Methyl-N4-[4-(1-Methyl-1H-indol-3-yl)-2-pyriMidinyl]-2-nitro-

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250123 10g In stock Shanghai Inquiry
Batchno.20260105 1g In stock Shanghai Inquiry
Batchno.20260428 250mg In stock Shanghai Inquiry
Batchno.20250218 25g In stock Tianjin, Wuhan Inquiry
Batchno.20260626 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-052873
GET A QUOTE
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: 1g, 0.25g, 5g, 10g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1421372-67-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Hong Kong Inquiry
0.25g ≥98% 4 In Stock Beijing Inquiry
5g ≥98% 1 In Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry

1421372-67-9 / 4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine

Standard CAS: 1421372-67-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1421372-67-9
Multi CAS
No
Molecular Formula
C25H29N7O3
Molecular Weight
475.500000
Exact Mass
475.233188
SMILES
CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=CC(=C(C=C4OC)N(C)CCN(C)C)[N+](=O)[O-]
InChI
InChI=1S/C25H29N7O3/c1-29(2)12-13-30(3)22-15-24(35-5)20(14-23(22)32(33)34)28-25-26-11-10-19(27-25)18-16-31(4)21-9-7-6-8-17(18)21/h6-11,14-16H,12-13H2,1-5H3,(H,26,27,28)
InChIKey
PKEPAQKEINNCAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
21
Fraction Csp3
0.28
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
1
Molar refractivity
138.7
TPSA
101.59

LogP / Solubility

WLOGP
4.29
MLOGP
3.81
XLogP3
3.8
Consensus LogP
3.97
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.39
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us