BAS 01119472
TL;DR: BAS 01119472 (CAS 302552-49-4) is a chemical compound with molecular formula C21H22N2O4S2 and molecular weight 430.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01119472, AB00673145-01, AE-641/12845461, ethyl 2-{[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, F1065-0344
| Molecular Formula | C21H22N2O4S2 |
|---|---|
| Molecular Weight | 430.10 g/mol |
| LogP | 4.2452 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.1021 |
| Heavy Atoms | 29 |
| Complexity | 969.5859 |
Chemical Identifiers
| CAS Number | 302552-49-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)NC4=CC=CC=C4S3 |
Product Overview
BAS 01119472 (CAS 302552-49-4), with molecular formula C21H22N2O4S2 and molecular weight 430.10 g/mol. IUPAC: ethyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01119472
Property Insights of BAS 01119472
The XLogP value of 4.2452 indicates that BAS 01119472 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01119472. Following Lipinski's Rule of Five, BAS 01119472 has 2 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 01119472?
The CAS number of BAS 01119472 is 302552-49-4.
What is the molecular formula of BAS 01119472?
The molecular formula of BAS 01119472 is C21H22N2O4S2.
What is the molecular weight of BAS 01119472?
The molecular weight of BAS 01119472 is 430.10 g/mol.
Where can I buy BAS 01119472?
You can request a quote for BAS 01119472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01119472?
Yes, KEHONG BIO provides custom synthesis services for BAS 01119472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.