BAS 01022494
TL;DR: BAS 01022494 (CAS 333774-29-1) is a chemical compound with molecular formula C16H21NO4S2 and molecular weight 355.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-acetylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01022494, ethyl 2-{[3-(acetylsulfanyl)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, AH-262/36993005, Ethyl 2-(3-(acetylthio)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ETHYL 2-[3-(ACETYLSULFANYL)PROPANAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C16H21NO4S2 |
|---|---|
| Molecular Weight | 355.09 g/mol |
| LogP | 3.4119 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.0912 |
| Heavy Atoms | 23 |
| Complexity | 609.46655 |
Chemical Identifiers
| CAS Number | 333774-29-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC(=O)C |
Product Overview
BAS 01022494 (CAS 333774-29-1), with molecular formula C16H21NO4S2 and molecular weight 355.09 g/mol. IUPAC: ethyl 2-(3-acetylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01022494
Property Insights of BAS 01022494
The XLogP value of 3.4119 indicates that BAS 01022494 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01022494. Following Lipinski's Rule of Five, BAS 01022494 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 01022494?
The CAS number of BAS 01022494 is 333774-29-1.
What is the molecular formula of BAS 01022494?
The molecular formula of BAS 01022494 is C16H21NO4S2.
What is the molecular weight of BAS 01022494?
The molecular weight of BAS 01022494 is 355.09 g/mol.
Where can I buy BAS 01022494?
You can request a quote for BAS 01022494 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01022494?
Yes, KEHONG BIO provides custom synthesis services for BAS 01022494 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.