BAS 00379907
TL;DR: BAS 00379907 (CAS 312607-40-2) is a chemical compound with molecular formula C16H24N2O4S and molecular weight 340.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(2-hydroxyethylamino)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00379907, Ethyl 2-(3-((2-hydroxyethyl)amino)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-{[N-(2-hydroxyethyl)-beta-alanyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-{3-[(2-HYDROXYETHYL)AMINO]PROPANAMIDO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-[3-(2-hydroxyethylamino)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C16H24N2O4S |
|---|---|
| Molecular Weight | 340.15 g/mol |
| LogP | 1.7141 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 340.1457 |
| Heavy Atoms | 23 |
| Complexity | 556.52026 |
Chemical Identifiers
| CAS Number | 312607-40-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCNCCO |
Product Overview
BAS 00379907 (CAS 312607-40-2), with molecular formula C16H24N2O4S and molecular weight 340.15 g/mol. IUPAC: ethyl 2-[3-(2-hydroxyethylamino)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00379907
Property Insights of BAS 00379907
The XLogP value of 1.7141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00379907. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00379907. Following Lipinski's Rule of Five, BAS 00379907 has 3 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 00379907?
The CAS number of BAS 00379907 is 312607-40-2.
What is the molecular formula of BAS 00379907?
The molecular formula of BAS 00379907 is C16H24N2O4S.
What is the molecular weight of BAS 00379907?
The molecular weight of BAS 00379907 is 340.15 g/mol.
Where can I buy BAS 00379907?
You can request a quote for BAS 00379907 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00379907?
Yes, KEHONG BIO provides custom synthesis services for BAS 00379907 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.