BAS 01176744
TL;DR: BAS 01176744 (CAS 5913-95-1) is a chemical compound with molecular formula C18H22N2O2S and molecular weight 330.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: BAS 01176744, ethyl 2-amino-6-(2-phenylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, 2-Amino-6-phenethyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester, ethyl 2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate, ethyl 2-amino-6-phenethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C18H22N2O2S |
|---|---|
| Molecular Weight | 330.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.1402 |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
| Solubility | 31.7 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 5913-95-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)CCC3=CC=CC=C3)N |
| InChIKey | YIAPVCLCADJYMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BAS 01176744 (CAS 5913-95-1), with molecular formula C18H22N2O2S and molecular weight 330.14 g/mol. IUPAC: ethyl 2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of BAS 01176744
Property Insights of BAS 01176744
The XLogP value of 3.9 indicates that BAS 01176744 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01176744. Following Lipinski's Rule of Five, BAS 01176744 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 01176744?
The CAS number of BAS 01176744 is 5913-95-1.
What is the molecular formula of BAS 01176744?
The molecular formula of BAS 01176744 is C18H22N2O2S.
What is the molecular weight of BAS 01176744?
The molecular weight of BAS 01176744 is 330.14 g/mol.
Where can I buy BAS 01176744?
You can request a quote for BAS 01176744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01176744?
Yes, KEHONG BIO provides custom synthesis services for BAS 01176744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.