BAS 00676158
TL;DR: BAS 00676158 (CAS 62159-45-9) is a chemical compound with molecular formula C16H21NO5S and molecular weight 339.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00676158, ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, AE-848/34401046, ethyl 2-(4-methoxy-4-oxobutanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, 2-(3-methoxycarbonyl-propionylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
| Molecular Formula | C16H21NO5S |
|---|---|
| Molecular Weight | 339.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 339.11404 |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 62159-45-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC(=O)OC |
| InChIKey | SLKIILPFAUJMKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BAS 00676158 (CAS 62159-45-9), with molecular formula C16H21NO5S and molecular weight 339.11 g/mol. IUPAC: ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00676158
Property Insights of BAS 00676158
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00676158. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00676158. Following Lipinski's Rule of Five, BAS 00676158 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 BAS 00676158?
The CAS number of BAS 00676158 is 62159-45-9.
What is the molecular formula of BAS 00676158?
The molecular formula of BAS 00676158 is C16H21NO5S.
What is the molecular weight of BAS 00676158?
The molecular weight of BAS 00676158 is 339.11 g/mol.
Where can I buy BAS 00676158?
You can request a quote for BAS 00676158 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00676158?
Yes, KEHONG BIO provides custom synthesis services for BAS 00676158 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.