BAS 03305039
TL;DR: BAS 03305039 (CAS 431925-54-1) is a chemical compound with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylbenzoyl)amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 03305039, AB00116584-01, 2-{[(4-methylphenyl)carbonyl]amino}-N-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(4-methylbenzoyl)amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C20H22N2O2S |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 4.10342 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.1402 |
| Heavy Atoms | 25 |
| Complexity | 805.8488 |
Chemical Identifiers
| CAS Number | 431925-54-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC=C |
Product Overview
BAS 03305039 (CAS 431925-54-1), with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol. IUPAC: 2-[(4-methylbenzoyl)amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 03305039
Property Insights of BAS 03305039
The XLogP value of 4.10342 indicates that BAS 03305039 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, BAS 03305039 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 03305039 has 2 hydrogen bond donor(s) and 3 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 03305039?
The CAS number of BAS 03305039 is 431925-54-1.
What is the molecular formula of BAS 03305039?
The molecular formula of BAS 03305039 is C20H22N2O2S.
What is the molecular weight of BAS 03305039?
The molecular weight of BAS 03305039 is 354.14 g/mol.
Where can I buy BAS 03305039?
You can request a quote for BAS 03305039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03305039?
Yes, KEHONG BIO provides custom synthesis services for BAS 03305039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.