ChemDiv1_020731
TL;DR: ChemDiv1_020731 (CAS 329066-88-8) is a chemical compound with molecular formula C20H21ClN2O5S and molecular weight 436.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(2-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
Also Known As: ChemDiv1_020731, BIM-0027530.P001, AB00092689-01, F1298-0299, 3,6-Diethyl 2-[(2-chlorobenzoyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate
| Molecular Formula | C20H21ClN2O5S |
|---|---|
| Molecular Weight | 436.09 g/mol |
| LogP | 4.3451 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.08597 |
| Heavy Atoms | 29 |
| Complexity | 942.94794 |
Chemical Identifiers
| CAS Number | 329066-88-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C3=CC=CC=C3Cl |
Product Overview
ChemDiv1_020731 (CAS 329066-88-8), with molecular formula C20H21ClN2O5S and molecular weight 436.09 g/mol. IUPAC: diethyl 2-[(2-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate.
Chemical Property Profile of ChemDiv1_020731
Property Insights of ChemDiv1_020731
The XLogP value of 4.3451 indicates that ChemDiv1_020731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020731. Following Lipinski's Rule of Five, ChemDiv1_020731 has 1 hydrogen bond donor(s) and 6 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_020731?
The CAS number of ChemDiv1_020731 is 329066-88-8.
What is the molecular formula of ChemDiv1_020731?
The molecular formula of ChemDiv1_020731 is C20H21ClN2O5S.
What is the molecular weight of ChemDiv1_020731?
The molecular weight of ChemDiv1_020731 is 436.09 g/mol.
Where can I buy ChemDiv1_020731?
You can request a quote for ChemDiv1_020731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020731?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.