BAS 06976611
TL;DR: BAS 06976611 (CAS 645348-89-6) is a chemical compound with molecular formula C19H17F3N2O2S and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
Also Known As: BAS 06976611, N-(3,4-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide, F1457-0031, N-(3,4-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide, N-(3,4-dimethylphenyl)-2-(3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamide
| Molecular Formula | C19H17F3N2O2S |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 4.76384 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.09628 |
| Heavy Atoms | 27 |
| Complexity | 912.3132 |
Chemical Identifiers
| CAS Number | 645348-89-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)C |
Product Overview
BAS 06976611 (CAS 645348-89-6), with molecular formula C19H17F3N2O2S and molecular weight 394.10 g/mol. IUPAC: N-(3,4-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide.
Chemical Property Profile of BAS 06976611
Property Insights of BAS 06976611
The XLogP value of 4.76384 indicates that BAS 06976611 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 06976611 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 06976611 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 06976611?
The CAS number of BAS 06976611 is 645348-89-6.
What is the molecular formula of BAS 06976611?
The molecular formula of BAS 06976611 is C19H17F3N2O2S.
What is the molecular weight of BAS 06976611?
The molecular weight of BAS 06976611 is 394.10 g/mol.
Where can I buy BAS 06976611?
You can request a quote for BAS 06976611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06976611?
Yes, KEHONG BIO provides custom synthesis services for BAS 06976611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.