AB00668977-01
TL;DR: AB00668977-01 (CAS 851132-79-1) is a chemical compound with molecular formula C18H12Cl2F3N3OS and molecular weight 445.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Also Known As: AB00668977-01, F0599-0430, 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide, N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((1-(3-chlorophenyl)-1H-imidazol-2-yl)thio)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1-(3-chlorophenyl)-1H-imidazol-2-yl]sulfanyl}acetamide
| Molecular Formula | C18H12Cl2F3N3OS |
|---|---|
| Molecular Weight | 445.00 g/mol |
| LogP | 5.9287 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.00302 |
| Heavy Atoms | 28 |
| Complexity | 1007.7361 |
Chemical Identifiers
| CAS Number | 851132-79-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N2C=CN=C2SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
AB00668977-01 (CAS 851132-79-1), with molecular formula C18H12Cl2F3N3OS and molecular weight 445.00 g/mol. IUPAC: 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AB00668977-01
Property Insights of AB00668977-01
The XLogP value of 5.9287 indicates that AB00668977-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, AB00668977-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00668977-01 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 AB00668977-01?
The CAS number of AB00668977-01 is 851132-79-1.
What is the molecular formula of AB00668977-01?
The molecular formula of AB00668977-01 is C18H12Cl2F3N3OS.
What is the molecular weight of AB00668977-01?
The molecular weight of AB00668977-01 is 445.00 g/mol.
Where can I buy AB00668977-01?
You can request a quote for AB00668977-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668977-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668977-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.