BAS 07239091
TL;DR: BAS 07239091 (CAS 597546-65-1) is a chemical compound with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enenitrile
Also Known As: BAS 07239091, AB01324492-02, (2E)-2-(1H-benzimidazol-2-yl)-3-[3-ethoxy-4-(propan-2-yloxy)phenyl]prop-2-enenitrile, (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enenitrile, 2-(1H-Benzoimidazol-2-yl)-3-(3-ethoxy-4-isopropoxy-phenyl)-acrylonitrile
| Molecular Formula | C21H21N3O2 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | 4.81298 |
| Topological Polar Surface Area | 70.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.1634 |
| Heavy Atoms | 26 |
| Complexity | 947.33 |
Chemical Identifiers
| CAS Number | 597546-65-1 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OC(C)C |
Product Overview
BAS 07239091 (CAS 597546-65-1), with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enenitrile.
Chemical Property Profile of BAS 07239091
Property Insights of BAS 07239091
The XLogP value of 4.81298 indicates that BAS 07239091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07239091. Following Lipinski's Rule of Five, BAS 07239091 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 07239091?
The CAS number of BAS 07239091 is 597546-65-1.
What is the molecular formula of BAS 07239091?
The molecular formula of BAS 07239091 is C21H21N3O2.
What is the molecular weight of BAS 07239091?
The molecular weight of BAS 07239091 is 347.16 g/mol.
Where can I buy BAS 07239091?
You can request a quote for BAS 07239091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07239091?
Yes, KEHONG BIO provides custom synthesis services for BAS 07239091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.