AB01324694-02
TL;DR: AB01324694-02 (CAS 835898-27-6) is a chemical compound with molecular formula C20H18ClN3O and molecular weight 351.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-chloro-2-ethoxyphenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Also Known As: AB01324694-02, (2E)-3-(5-chloro-2-ethoxyphenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile, (E)-3-(5-chloro-2-ethoxyphenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile
| Molecular Formula | C20H18ClN3O |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 5.29602 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.11383 |
| Heavy Atoms | 25 |
| Complexity | 972.68854 |
Chemical Identifiers
| CAS Number | 835898-27-6 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)Cl)/C=C(\C#N)/C2=NC3=C(N2)C=C(C(=C3)C)C |
Product Overview
AB01324694-02 (CAS 835898-27-6), with molecular formula C20H18ClN3O and molecular weight 351.11 g/mol. IUPAC: (E)-3-(5-chloro-2-ethoxyphenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of AB01324694-02
Property Insights of AB01324694-02
The XLogP value of 5.29602 indicates that AB01324694-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01324694-02. Following Lipinski's Rule of Five, AB01324694-02 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB01324694-02?
The CAS number of AB01324694-02 is 835898-27-6.
What is the molecular formula of AB01324694-02?
The molecular formula of AB01324694-02 is C20H18ClN3O.
What is the molecular weight of AB01324694-02?
The molecular weight of AB01324694-02 is 351.11 g/mol.
Where can I buy AB01324694-02?
You can request a quote for AB01324694-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01324694-02?
Yes, KEHONG BIO provides custom synthesis services for AB01324694-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.