![CAS 1269662-79-4 Phosphonic acid, P-[2-[[4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]amino]-2-oxoethyl]-, diethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1269662-79-4.gif)
CAS RN: 1269662-79-4
Phosphonic acid, P-[2-[[4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]amino]-2-oxoethyl]-, diethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250630 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1269662-79-4
- Purity/Analytical Methods: >99.0%
1269662-79-4 / N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-diethoxyphosphorylacetamide
Basic Information
CAS
1269662-79-4
Multi CAS
No
Molecular Formula
C30H31ClN5O6P
Molecular Weight
624.000000
Exact Mass
623.170048
SMILES
CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)CP(=O)(OCC)OCC
InChI
InChI=1S/C30H31ClN5O6P/c1-4-39-28-15-25-23(14-26(28)36-29(37)19-43(38,41-5-2)42-6-3)30(20(16-32)17-34-25)35-21-10-11-27(24(31)13-21)40-18-22-9-7-8-12-33-22/h7-15,17H,4-6,18-19H2,1-3H3,(H,34,35)(H,36,37)
InChIKey
NCWDQEJFKNATGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
22
Fraction Csp3
0.27
Rotatable bonds
14
H-bond acceptors
10
H-bond donors
2
Molar refractivity
165.29
TPSA
144.69
LogP / Solubility
WLOGP
7.08
MLOGP
6.28
XLogP3
5.1
Consensus LogP
6.15
Log S (ESOL)
-7.62
Class (ESOL)
Insoluble
Log S (Ali)
-9.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.27
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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