C12H13ClF3NO4S2
TL;DR: C12H13ClF3NO4S2 (CAS 1009232-49-8) is a chemical compound with molecular formula C12H13ClF3NO4S2 and molecular weight 390.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid
Also Known As: ((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)methionine, (2S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid, 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanyl-butanoic Acid, C12H13ClF3NO4S2
| Molecular Formula | C12H13ClF3NO4S2 |
|---|---|
| Molecular Weight | 390.99 g/mol |
| LogP | 2.8434 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.99268 |
| Heavy Atoms | 23 |
| Complexity | 679.37366 |
Chemical Identifiers
| CAS Number | 1009232-49-8 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)O)NS(=O)(=O)C1=CC(=C(C=C1)Cl)C(F)(F)F |
Product Overview
C12H13ClF3NO4S2 (CAS 1009232-49-8), with molecular formula C12H13ClF3NO4S2 and molecular weight 390.99 g/mol. IUPAC: (2S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of C12H13ClF3NO4S2
Property Insights of C12H13ClF3NO4S2
The XLogP value of 2.8434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C12H13ClF3NO4S2. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for C12H13ClF3NO4S2. Following Lipinski's Rule of Five, C12H13ClF3NO4S2 has 2 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 C12H13ClF3NO4S2?
The CAS number of C12H13ClF3NO4S2 is 1009232-49-8.
What is the molecular formula of C12H13ClF3NO4S2?
The molecular formula of C12H13ClF3NO4S2 is C12H13ClF3NO4S2.
What is the molecular weight of C12H13ClF3NO4S2?
The molecular weight of C12H13ClF3NO4S2 is 390.99 g/mol.
Where can I buy C12H13ClF3NO4S2?
You can request a quote for C12H13ClF3NO4S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H13ClF3NO4S2?
Yes, KEHONG BIO provides custom synthesis services for C12H13ClF3NO4S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.