12K-505S
TL;DR: 12K-505S (CAS 306980-38-1) is a chemical compound with molecular formula C21H12ClF3N2OS and molecular weight 432.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-chlorophenyl)sulfanyl-3-cyanophenyl]-3-(trifluoromethyl)benzamide
Also Known As: 12K-505S, N-{4-[(4-chlorophenyl)sulfanyl]-3-cyanophenyl}-3-(trifluoromethyl)benzenecarboxamide, N-[4-(4-chlorophenyl)sulfanyl-3-cyanophenyl]-3-(trifluoromethyl)benzamide, N-{4-[(4-chlorophenyl)sulfanyl]-3-cyanophenyl}-3-(trifluoromethyl)benzamide, N-[4-(4-chlorophenyl)sulfanyl-3-cyano-phenyl]-3-(trifluoromethyl)benzamide
| Molecular Formula | C21H12ClF3N2OS |
|---|---|
| Molecular Weight | 432.03 g/mol |
| LogP | 6.63398 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.0311 |
| Heavy Atoms | 29 |
| Complexity | 1092.3157 |
Chemical Identifiers
| CAS Number | 306980-38-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)C#N |
Product Overview
12K-505S (CAS 306980-38-1), with molecular formula C21H12ClF3N2OS and molecular weight 432.03 g/mol. IUPAC: N-[4-(4-chlorophenyl)sulfanyl-3-cyanophenyl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of 12K-505S
Property Insights of 12K-505S
The XLogP value of 6.63398 indicates that 12K-505S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 12K-505S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12K-505S 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 12K-505S?
The CAS number of 12K-505S is 306980-38-1.
What is the molecular formula of 12K-505S?
The molecular formula of 12K-505S is C21H12ClF3N2OS.
What is the molecular weight of 12K-505S?
The molecular weight of 12K-505S is 432.03 g/mol.
Where can I buy 12K-505S?
You can request a quote for 12K-505S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12K-505S?
Yes, KEHONG BIO provides custom synthesis services for 12K-505S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.