AB00099435-01
TL;DR: AB00099435-01 (CAS 392238-85-6) is a chemical compound with molecular formula C20H19N3O4 and molecular weight 365.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Also Known As: AB00099435-01, F0325-0025, (E)-2-(1-methyl-1H-benzo[d]imidazol-2(3H)-ylidene)-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile, 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile, 3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile
| Molecular Formula | C20H19N3O4 |
|---|---|
| Molecular Weight | 365.14 g/mol |
| LogP | 3.54898 |
| Topological Polar Surface Area | 89.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.13754 |
| Heavy Atoms | 27 |
| Complexity | 1051.5057 |
Chemical Identifiers
| CAS Number | 392238-85-6 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1/C(=C(/C3=CC(=C(C(=C3)OC)OC)OC)\O)/C#N |
Product Overview
AB00099435-01 (CAS 392238-85-6), with molecular formula C20H19N3O4 and molecular weight 365.14 g/mol. IUPAC: (Z)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of AB00099435-01
Property Insights of AB00099435-01
The XLogP value of 3.54898 indicates that AB00099435-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00099435-01. Following Lipinski's Rule of Five, AB00099435-01 has 1 hydrogen bond donor(s) and 6 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 AB00099435-01?
The CAS number of AB00099435-01 is 392238-85-6.
What is the molecular formula of AB00099435-01?
The molecular formula of AB00099435-01 is C20H19N3O4.
What is the molecular weight of AB00099435-01?
The molecular weight of AB00099435-01 is 365.14 g/mol.
Where can I buy AB00099435-01?
You can request a quote for AB00099435-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00099435-01?
Yes, KEHONG BIO provides custom synthesis services for AB00099435-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.