AB00358899-03
TL;DR: AB00358899-03 (CAS 406471-13-4) is a chemical compound with molecular formula C18H13F2N3O2 and molecular weight 341.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(1H-benzimidazol-2-yl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enenitrile
Also Known As: AB00358899-03, (2Z)-2-(1H-benzimidazol-2-yl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enenitrile, (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enenitrile
| Molecular Formula | C18H13F2N3O2 |
|---|---|
| Molecular Weight | 341.10 g/mol |
| LogP | 4.23708 |
| Topological Polar Surface Area | 70.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.0976 |
| Heavy Atoms | 25 |
| Complexity | 940.8568 |
Chemical Identifiers
| CAS Number | 406471-13-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(/C#N)\C2=NC3=CC=CC=C3N2)OC(F)F |
Product Overview
AB00358899-03 (CAS 406471-13-4), with molecular formula C18H13F2N3O2 and molecular weight 341.10 g/mol. IUPAC: (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enenitrile.
Chemical Property Profile of AB00358899-03
Property Insights of AB00358899-03
The XLogP value of 4.23708 indicates that AB00358899-03 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 AB00358899-03. Following Lipinski's Rule of Five, AB00358899-03 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 AB00358899-03?
The CAS number of AB00358899-03 is 406471-13-4.
What is the molecular formula of AB00358899-03?
The molecular formula of AB00358899-03 is C18H13F2N3O2.
What is the molecular weight of AB00358899-03?
The molecular weight of AB00358899-03 is 341.10 g/mol.
Where can I buy AB00358899-03?
You can request a quote for AB00358899-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00358899-03?
Yes, KEHONG BIO provides custom synthesis services for AB00358899-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.