BAS 00795830
TL;DR: BAS 00795830 (CAS 63274-51-1) is a chemical compound with molecular formula C15H21NO3S and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00795830, J1.769.270D, AE-848/07786014, ethyl 2-isobutyramido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, 2-(Isobutyrylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
| Molecular Formula | C15H21NO3S |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.3981 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.1242 |
| Heavy Atoms | 20 |
| Complexity | 519.4335 |
Chemical Identifiers
| CAS Number | 63274-51-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)C |
Product Overview
BAS 00795830 (CAS 63274-51-1), with molecular formula C15H21NO3S and molecular weight 295.12 g/mol. IUPAC: ethyl 2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00795830
Property Insights of BAS 00795830
The XLogP value of 3.3981 indicates that BAS 00795830 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00795830 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00795830 has 1 hydrogen bond donor(s) and 4 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 00795830?
The CAS number of BAS 00795830 is 63274-51-1.
What is the molecular formula of BAS 00795830?
The molecular formula of BAS 00795830 is C15H21NO3S.
What is the molecular weight of BAS 00795830?
The molecular weight of BAS 00795830 is 295.12 g/mol.
Where can I buy BAS 00795830?
You can request a quote for BAS 00795830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00795830?
Yes, KEHONG BIO provides custom synthesis services for BAS 00795830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.