AB00685824-01
TL;DR: AB00685824-01 (CAS 896680-01-6) is a chemical compound with molecular formula C18H19ClN2O5S2 and molecular weight 442.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
Also Known As: AB00685824-01, F1298-0303, 3,6-diethyl 2-(5-chlorothiophene-2-amido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate, diethyl 2-(5-chlorothiophene-2-carboxamido)-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate, diethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
| Molecular Formula | C18H19ClN2O5S2 |
|---|---|
| Molecular Weight | 442.04 g/mol |
| LogP | 4.4066 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.0424 |
| Heavy Atoms | 28 |
| Complexity | 907.9233 |
Chemical Identifiers
| CAS Number | 896680-01-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C3=CC=C(S3)Cl |
Product Overview
AB00685824-01 (CAS 896680-01-6), with molecular formula C18H19ClN2O5S2 and molecular weight 442.04 g/mol. IUPAC: diethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate.
Chemical Property Profile of AB00685824-01
Property Insights of AB00685824-01
The XLogP value of 4.4066 indicates that AB00685824-01 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 AB00685824-01. Following Lipinski's Rule of Five, AB00685824-01 has 1 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 AB00685824-01?
The CAS number of AB00685824-01 is 896680-01-6.
What is the molecular formula of AB00685824-01?
The molecular formula of AB00685824-01 is C18H19ClN2O5S2.
What is the molecular weight of AB00685824-01?
The molecular weight of AB00685824-01 is 442.04 g/mol.
Where can I buy AB00685824-01?
You can request a quote for AB00685824-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685824-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685824-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.