BAS 04357913
TL;DR: BAS 04357913 (CAS 431985-56-7) is a chemical compound with molecular formula C21H21F3N2O3S and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-butoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
Also Known As: BAS 04357913, N-(2-butoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide, AB00119116-01, F1199-0097, N-(2-butoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
| Molecular Formula | C21H21F3N2O3S |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 5.3259 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.1225 |
| Heavy Atoms | 30 |
| Complexity | 933.9529 |
Chemical Identifiers
| CAS Number | 431985-56-7 |
|---|---|
| SMILES | CCCCOC1=CC=CC=C1NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F |
Product Overview
BAS 04357913 (CAS 431985-56-7), with molecular formula C21H21F3N2O3S and molecular weight 438.12 g/mol. IUPAC: N-(2-butoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide.
Chemical Property Profile of BAS 04357913
Property Insights of BAS 04357913
The XLogP value of 5.3259 indicates that BAS 04357913 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04357913. Following Lipinski's Rule of Five, BAS 04357913 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 04357913?
The CAS number of BAS 04357913 is 431985-56-7.
What is the molecular formula of BAS 04357913?
The molecular formula of BAS 04357913 is C21H21F3N2O3S.
What is the molecular weight of BAS 04357913?
The molecular weight of BAS 04357913 is 438.12 g/mol.
Where can I buy BAS 04357913?
You can request a quote for BAS 04357913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04357913?
Yes, KEHONG BIO provides custom synthesis services for BAS 04357913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.