AB00115830-01
TL;DR: AB00115830-01 (CAS 315685-92-8) is a chemical compound with molecular formula C16H11ClF3N5OS and molecular weight 413.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
Also Known As: AB00115830-01, AF-399/15335034, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamide, N-(4-CL-3-(TRIFLUOROMETHYL)PHENYL)-2-((1-PHENYL-1H-TETRAAZOL-5-YL)THIO)ACETAMIDE
| Molecular Formula | C16H11ClF3N5OS |
|---|---|
| Molecular Weight | 413.03 g/mol |
| LogP | 4.0653 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.0325 |
| Heavy Atoms | 27 |
| Complexity | 948.7288 |
Chemical Identifiers
| CAS Number | 315685-92-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F |
Product Overview
AB00115830-01 (CAS 315685-92-8), with molecular formula C16H11ClF3N5OS and molecular weight 413.03 g/mol. IUPAC: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
Chemical Property Profile of AB00115830-01
Property Insights of AB00115830-01
The XLogP value of 4.0653 indicates that AB00115830-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115830-01. Following Lipinski's Rule of Five, AB00115830-01 has 1 hydrogen bond donor(s) and 5 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 AB00115830-01?
The CAS number of AB00115830-01 is 315685-92-8.
What is the molecular formula of AB00115830-01?
The molecular formula of AB00115830-01 is C16H11ClF3N5OS.
What is the molecular weight of AB00115830-01?
The molecular weight of AB00115830-01 is 413.03 g/mol.
Where can I buy AB00115830-01?
You can request a quote for AB00115830-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115830-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115830-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.