A-chloro-
TL;DR: A-chloro- (CAS 6554-59-2) is a chemical compound with molecular formula C27H20F3N3O4S and molecular weight 539.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(phenylsulfamoyl)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
Also Known As: A-chloro-, A-p-tolylsulfanyl-isobutyronitrile, 3-Chloro-2-methyl-2-p-tolylsulfanyl-propionitrile, 3-[4-(Phenylsulfamoyl)benzamido]-N-[3-(trifluoromethyl)phenyl]benzene-1-carboximidic acid, 3-[[4-(phenylsulfamoyl)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
| Molecular Formula | C27H20F3N3O4S |
|---|---|
| Molecular Weight | 539.11 g/mol |
| LogP | 6.0108 |
| Topological Polar Surface Area | 104.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 539.1127 |
| Heavy Atoms | 38 |
| Complexity | 1573.4486 |
Chemical Identifiers
| CAS Number | 6554-59-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
A-chloro- (CAS 6554-59-2), with molecular formula C27H20F3N3O4S and molecular weight 539.11 g/mol. IUPAC: 3-[[4-(phenylsulfamoyl)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
Chemical Property Profile of A-chloro-
Property Insights of A-chloro-
The XLogP value of 6.0108 indicates that A-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.37 Ų falls within the moderate polarity range, balancing permeability and solubility for A-chloro-. Following Lipinski's Rule of Five, A-chloro- has 3 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 A-chloro-?
The CAS number of A-chloro- is 6554-59-2.
What is the molecular formula of A-chloro-?
The molecular formula of A-chloro- is C27H20F3N3O4S.
What is the molecular weight of A-chloro-?
The molecular weight of A-chloro- is 539.11 g/mol.
Where can I buy A-chloro-?
You can request a quote for A-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-chloro-?
Yes, KEHONG BIO provides custom synthesis services for A-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.