AB00121595-01
TL;DR: AB00121595-01 (CAS 433234-59-4) is a chemical compound with molecular formula C18H13F6N3O2S and molecular weight 449.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
Also Known As: AB00121595-01, N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide, N-(3,5-bis(trifluoromethyl)phenyl)-2-((5-methoxy-1H-benzo[d]imidazol-2-yl)thio)acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-[(5-methoxy-1H-benzimidazol-2-yl)thio]acetamide
| Molecular Formula | C18H13F6N3O2S |
|---|---|
| Molecular Weight | 449.06 g/mol |
| LogP | 5.3399 |
| Topological Polar Surface Area | 67.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.06326 |
| Heavy Atoms | 30 |
| Complexity | 1045.6995 |
Chemical Identifiers
| CAS Number | 433234-59-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F |
Product Overview
AB00121595-01 (CAS 433234-59-4), with molecular formula C18H13F6N3O2S and molecular weight 449.06 g/mol. IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00121595-01
Property Insights of AB00121595-01
The XLogP value of 5.3399 indicates that AB00121595-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00121595-01. Following Lipinski's Rule of Five, AB00121595-01 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00121595-01?
The CAS number of AB00121595-01 is 433234-59-4.
What is the molecular formula of AB00121595-01?
The molecular formula of AB00121595-01 is C18H13F6N3O2S.
What is the molecular weight of AB00121595-01?
The molecular weight of AB00121595-01 is 449.06 g/mol.
Where can I buy AB00121595-01?
You can request a quote for AB00121595-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00121595-01?
Yes, KEHONG BIO provides custom synthesis services for AB00121595-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.