AB00088070-01
TL;DR: AB00088070-01 (CAS 5539-77-5) is a chemical compound with molecular formula C19H14N4O and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-[2-(cyanomethoxy)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Also Known As: AB00088070-01, (Z)-3-[2-(cyanomethoxy)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile, 3-[2-(cyanomethoxy)phenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile, (2Z)-3-[2-(Cyanomethoxy)phenyl]-2-(6-methyl-1H-1,3-benzimidazol-2-yl)prop-2-enenitrile
| Molecular Formula | C19H14N4O |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 3.83788 |
| Topological Polar Surface Area | 85.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.11676 |
| Heavy Atoms | 24 |
| Complexity | 1002.1141 |
Chemical Identifiers
| CAS Number | 5539-77-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N2)/C(=C\C3=CC=CC=C3OCC#N)/C#N |
Product Overview
AB00088070-01 (CAS 5539-77-5), with molecular formula C19H14N4O and molecular weight 314.12 g/mol. IUPAC: (Z)-3-[2-(cyanomethoxy)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of AB00088070-01
Property Insights of AB00088070-01
The XLogP value of 3.83788 indicates that AB00088070-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.49 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00088070-01. Following Lipinski's Rule of Five, AB00088070-01 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 AB00088070-01?
The CAS number of AB00088070-01 is 5539-77-5.
What is the molecular formula of AB00088070-01?
The molecular formula of AB00088070-01 is C19H14N4O.
What is the molecular weight of AB00088070-01?
The molecular weight of AB00088070-01 is 314.12 g/mol.
Where can I buy AB00088070-01?
You can request a quote for AB00088070-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00088070-01?
Yes, KEHONG BIO provides custom synthesis services for AB00088070-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.