A3108/0131651
TL;DR: A3108/0131651 (CAS 578752-48-4) is a chemical compound with molecular formula C15H12ClF3N4O5S and molecular weight 452.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
Also Known As: A3108/0131651, 4-chloro-N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide, 4-Chloro-N-(1,3-dimethyl-2,4,6-trioxo-5-trifluoromethyl-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidi n-5-yl)-benzenesulfonamide, 4-CHLORO-N-[1,3-DIMETHYL-2,4,6-TRIOXO-5-(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]BENZENE-1-SULFONAMIDE, 4-chloro-N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
| Molecular Formula | C15H12ClF3N4O5S |
|---|---|
| Molecular Weight | 452.02 g/mol |
| LogP | 0.4256 |
| Topological Polar Surface Area | 119.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.0169 |
| Heavy Atoms | 29 |
| Complexity | 1250.9288 |
Chemical Identifiers
| CAS Number | 578752-48-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)C(C(=O)N2)(C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
A3108/0131651 (CAS 578752-48-4), with molecular formula C15H12ClF3N4O5S and molecular weight 452.02 g/mol. IUPAC: 4-chloro-N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide.
Chemical Property Profile of A3108/0131651
Property Insights of A3108/0131651
The XLogP value of 0.4256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3108/0131651. The TPSA of 119.27 Ų falls within the moderate polarity range, balancing permeability and solubility for A3108/0131651. Following Lipinski's Rule of Five, A3108/0131651 has 2 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 A3108/0131651?
The CAS number of A3108/0131651 is 578752-48-4.
What is the molecular formula of A3108/0131651?
The molecular formula of A3108/0131651 is C15H12ClF3N4O5S.
What is the molecular weight of A3108/0131651?
The molecular weight of A3108/0131651 is 452.02 g/mol.
Where can I buy A3108/0131651?
You can request a quote for A3108/0131651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3108/0131651?
Yes, KEHONG BIO provides custom synthesis services for A3108/0131651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.