ChemDiv2_007078
TL;DR: ChemDiv2_007078 (CAS 852438-10-9) is a chemical compound with molecular formula C21H22ClNO5S and molecular weight 435.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxybenzamide
Also Known As: ChemDiv2_007078, IDI1_005793, F0678-0024, N-(4-CHLOROPHENYL)-N-(1,1-DIOXIDO-2,3-DIHYDRO-3-THIOPHENYL)-3,4-DIETHOXYBENZAMIDE, N-(4-chlorophenyl)-N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-3,4-diethoxybenzamide
| Molecular Formula | C21H22ClNO5S |
|---|---|
| Molecular Weight | 435.09 g/mol |
| LogP | 4.0949 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.09073 |
| Heavy Atoms | 29 |
| Complexity | 1017.867 |
Chemical Identifiers
| CAS Number | 852438-10-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)N(C2CS(=O)(=O)C=C2)C3=CC=C(C=C3)Cl)OCC |
Product Overview
ChemDiv2_007078 (CAS 852438-10-9), with molecular formula C21H22ClNO5S and molecular weight 435.09 g/mol. IUPAC: N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxybenzamide.
Chemical Property Profile of ChemDiv2_007078
Property Insights of ChemDiv2_007078
The XLogP value of 4.0949 indicates that ChemDiv2_007078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_007078. Following Lipinski's Rule of Five, ChemDiv2_007078 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 ChemDiv2_007078?
The CAS number of ChemDiv2_007078 is 852438-10-9.
What is the molecular formula of ChemDiv2_007078?
The molecular formula of ChemDiv2_007078 is C21H22ClNO5S.
What is the molecular weight of ChemDiv2_007078?
The molecular weight of ChemDiv2_007078 is 435.09 g/mol.
Where can I buy ChemDiv2_007078?
You can request a quote for ChemDiv2_007078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_007078?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_007078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.