ChemDiv3_010864
TL;DR: ChemDiv3_010864 (CAS 694504-39-7) is a chemical compound with molecular formula C21H17NO5S and molecular weight 395.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)-2-oxochromene-3-carboxamide
Also Known As: ChemDiv3_010864, IDI1_028422, BRD-A17312917-001-01-7, N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-2-oxo-N-(p-tolyl)-2H-chromene-3-carboxamide, N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)-2-oxochromene-3-carboxamide
| Molecular Formula | C21H17NO5S |
|---|---|
| Molecular Weight | 395.08 g/mol |
| LogP | 3.05892 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.08273 |
| Heavy Atoms | 28 |
| Complexity | 1255.9456 |
Chemical Identifiers
| CAS Number | 694504-39-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC4=CC=CC=C4OC3=O |
Product Overview
ChemDiv3_010864 (CAS 694504-39-7), with molecular formula C21H17NO5S and molecular weight 395.08 g/mol. IUPAC: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)-2-oxochromene-3-carboxamide.
Chemical Property Profile of ChemDiv3_010864
Property Insights of ChemDiv3_010864
The XLogP value of 3.05892 indicates that ChemDiv3_010864 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010864. Following Lipinski's Rule of Five, ChemDiv3_010864 has 0 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 ChemDiv3_010864?
The CAS number of ChemDiv3_010864 is 694504-39-7.
What is the molecular formula of ChemDiv3_010864?
The molecular formula of ChemDiv3_010864 is C21H17NO5S.
What is the molecular weight of ChemDiv3_010864?
The molecular weight of ChemDiv3_010864 is 395.08 g/mol.
Where can I buy ChemDiv3_010864?
You can request a quote for ChemDiv3_010864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010864?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.