ChemDiv1_028510
TL;DR: ChemDiv1_028510 (CAS 313393-99-6) is a chemical compound with molecular formula C23H18N2O6S and molecular weight 450.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[benzenesulfonyl(pyridine-4-carbonyl)amino]-2-methyl-1-benzofuran-3-carboxylate
Also Known As: ChemDiv1_028510, MixCom6_000702, methyl 5-[isonicotinoyl(phenylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate, methyl 5-[N-(benzenesulfonyl)pyridine-4-amido]-2-methyl-1-benzofuran-3-carboxylate, methyl 2-methyl-5-(N-(phenylsulfonyl)isonicotinamido)benzofuran-3-carboxylate
| Molecular Formula | C23H18N2O6S |
|---|---|
| Molecular Weight | 450.09 g/mol |
| LogP | 3.95852 |
| Topological Polar Surface Area | 106.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.08856 |
| Heavy Atoms | 32 |
| Complexity | 1413.1661 |
Chemical Identifiers
| CAS Number | 313393-99-6 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)OC |
Product Overview
ChemDiv1_028510 (CAS 313393-99-6), with molecular formula C23H18N2O6S and molecular weight 450.09 g/mol. IUPAC: methyl 5-[benzenesulfonyl(pyridine-4-carbonyl)amino]-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of ChemDiv1_028510
Property Insights of ChemDiv1_028510
The XLogP value of 3.95852 indicates that ChemDiv1_028510 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028510. Following Lipinski's Rule of Five, ChemDiv1_028510 has 0 hydrogen bond donor(s) and 7 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 ChemDiv1_028510?
The CAS number of ChemDiv1_028510 is 313393-99-6.
What is the molecular formula of ChemDiv1_028510?
The molecular formula of ChemDiv1_028510 is C23H18N2O6S.
What is the molecular weight of ChemDiv1_028510?
The molecular weight of ChemDiv1_028510 is 450.09 g/mol.
Where can I buy ChemDiv1_028510?
You can request a quote for ChemDiv1_028510 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028510?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028510 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.