BAS 00837696
TL;DR: BAS 00837696 (CAS 106807-65-2) is a chemical compound with molecular formula C20H19NO4S and molecular weight 369.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-benzofuran-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00837696, ethyl 2-[(1-benzofuran-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, AE-848/34433045, ethyl 2-(1-benzofuran-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(1-benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H19NO4S |
|---|---|
| Molecular Weight | 369.10 g/mol |
| LogP | 4.8021 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.1035 |
| Heavy Atoms | 26 |
| Complexity | 952.026 |
Chemical Identifiers
| CAS Number | 106807-65-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=CC=CC=C4O3 |
Product Overview
BAS 00837696 (CAS 106807-65-2), with molecular formula C20H19NO4S and molecular weight 369.10 g/mol. IUPAC: ethyl 2-(1-benzofuran-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00837696
Property Insights of BAS 00837696
The XLogP value of 4.8021 indicates that BAS 00837696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00837696. Following Lipinski's Rule of Five, BAS 00837696 has 1 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 BAS 00837696?
The CAS number of BAS 00837696 is 106807-65-2.
What is the molecular formula of BAS 00837696?
The molecular formula of BAS 00837696 is C20H19NO4S.
What is the molecular weight of BAS 00837696?
The molecular weight of BAS 00837696 is 369.10 g/mol.
Where can I buy BAS 00837696?
You can request a quote for BAS 00837696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00837696?
Yes, KEHONG BIO provides custom synthesis services for BAS 00837696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.