ChemDiv1_020711
TL;DR: ChemDiv1_020711 (CAS 313394-01-3) is a chemical compound with molecular formula C27H20N2O6S and molecular weight 500.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-5-[naphthalen-2-ylsulfonyl(pyridine-4-carbonyl)amino]-1-benzofuran-3-carboxylate
Also Known As: ChemDiv1_020711, methyl 2-methyl-5-[naphthalen-2-ylsulfonyl(pyridine-4-carbonyl)amino]-1-benzofuran-3-carboxylate, METHYL 2-METHYL-5-[N-(NAPHTHALENE-2-SULFONYL)PYRIDINE-4-AMIDO]-1-BENZOFURAN-3-CARBOXYLATE, methyl 2-methyl-5-(N-(naphthalen-2-ylsulfonyl)isonicotinamido)benzofuran-3-carboxylate, 2-methyl-5-[2-naphthalenylsulfonyl-[oxo(pyridin-4-yl)methyl]amino]-3-benzofurancarboxylic acid methyl ester
| Molecular Formula | C27H20N2O6S |
|---|---|
| Molecular Weight | 500.10 g/mol |
| LogP | 5.11172 |
| Topological Polar Surface Area | 106.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.10422 |
| Heavy Atoms | 36 |
| Complexity | 1742.8274 |
Chemical Identifiers
| CAS Number | 313394-01-3 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)OC |
Product Overview
ChemDiv1_020711 (CAS 313394-01-3), with molecular formula C27H20N2O6S and molecular weight 500.10 g/mol. IUPAC: methyl 2-methyl-5-[naphthalen-2-ylsulfonyl(pyridine-4-carbonyl)amino]-1-benzofuran-3-carboxylate.
Chemical Property Profile of ChemDiv1_020711
Property Insights of ChemDiv1_020711
The XLogP value of 5.11172 indicates that ChemDiv1_020711 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_020711. Following Lipinski's Rule of Five, ChemDiv1_020711 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_020711?
The CAS number of ChemDiv1_020711 is 313394-01-3.
What is the molecular formula of ChemDiv1_020711?
The molecular formula of ChemDiv1_020711 is C27H20N2O6S.
What is the molecular weight of ChemDiv1_020711?
The molecular weight of ChemDiv1_020711 is 500.10 g/mol.
Where can I buy ChemDiv1_020711?
You can request a quote for ChemDiv1_020711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020711?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.