[email protected]
CAS 138135-48-5 Ethyl 4-(3-AMinophenyl)-5-(Methoxycarbonyl)-2,6-diMethyl-1,4-dihydropyridine-3-carboxylate molecular structure lightbox
CAS RN: 138135-48-5

Ethyl 4-(3-AMinophenyl)-5-(Methoxycarbonyl)-2,6-diMethyl-1,4-dihydropyridine-3-carboxylate

  • Product code: SSC-048095
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, 5g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 138135-48-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry

138135-48-5 / 5-O-ethyl 3-O-methyl 4-(3-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Standard CAS: 138135-48-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138135-48-5
Multi CAS
No
Molecular Formula
C18H22N2O4
Molecular Weight
330.400000
Exact Mass
330.157957
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)N)C(=O)OC)C)C
InChI
InChI=1S/C18H22N2O4/c1-5-24-18(22)15-11(3)20-10(2)14(17(21)23-4)16(15)12-7-6-8-13(19)9-12/h6-9,16,20H,5,19H2,1-4H3
InChIKey
MHIDUZTVAKDYMR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
90.78
TPSA
90.65

LogP / Solubility

WLOGP
2.24
MLOGP
1.99
XLogP3
2.4
Consensus LogP
2.21
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us