AB00685812-01
TL;DR: AB00685812-01 (CAS 864925-76-8) is a chemical compound with molecular formula C19H18N4O4S2 and molecular weight 430.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-benzothiazole-2-carbonylamino)-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Also Known As: AB00685812-01, F1298-0028, ethyl 2-(1,3-benzothiazole-2-amido)-3-carbamoyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate, ethyl 2-(1,3-benzothiazole-2-carbonylamino)-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate, ethyl 2-(benzo[d]thiazole-2-carboxamido)-3-carbamoyl-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
| Molecular Formula | C19H18N4O4S2 |
|---|---|
| Molecular Weight | 430.08 g/mol |
| LogP | 3.2236 |
| Topological Polar Surface Area | 114.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.07693 |
| Heavy Atoms | 29 |
| Complexity | 1087.8098 |
Chemical Identifiers
| CAS Number | 864925-76-8 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NC4=CC=CC=C4S3 |
Product Overview
AB00685812-01 (CAS 864925-76-8), with molecular formula C19H18N4O4S2 and molecular weight 430.08 g/mol. IUPAC: ethyl 2-(1,3-benzothiazole-2-carbonylamino)-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
Chemical Property Profile of AB00685812-01
Property Insights of AB00685812-01
The XLogP value of 3.2236 indicates that AB00685812-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685812-01. Following Lipinski's Rule of Five, AB00685812-01 has 2 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 AB00685812-01?
The CAS number of AB00685812-01 is 864925-76-8.
What is the molecular formula of AB00685812-01?
The molecular formula of AB00685812-01 is C19H18N4O4S2.
What is the molecular weight of AB00685812-01?
The molecular weight of AB00685812-01 is 430.08 g/mol.
Where can I buy AB00685812-01?
You can request a quote for AB00685812-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685812-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685812-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.