BAS 02239128
TL;DR: BAS 02239128 (CAS 470450-74-9) is a chemical compound with molecular formula C19H16BrN3O4S and molecular weight 461.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(4-bromophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: BAS 02239128, (Z)-4-(2-((4-bromophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[[2-(4-bromophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid, 4-[({(2Z)-2-[(4-bromophenyl)imino]-3-methyl-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid
| Molecular Formula | C19H16BrN3O4S |
|---|---|
| Molecular Weight | 461.00 g/mol |
| LogP | 3.7374 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.0045 |
| Heavy Atoms | 28 |
| Complexity | 944.656 |
Chemical Identifiers
| CAS Number | 470450-74-9 |
|---|---|
| SMILES | CN1C(=O)CC(SC1=NC2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
BAS 02239128 (CAS 470450-74-9), with molecular formula C19H16BrN3O4S and molecular weight 461.00 g/mol. IUPAC: 4-[[2-(4-bromophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of BAS 02239128
Property Insights of BAS 02239128
The XLogP value of 3.7374 indicates that BAS 02239128 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02239128. Following Lipinski's Rule of Five, BAS 02239128 has 2 hydrogen bond donor(s) and 5 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 02239128?
The CAS number of BAS 02239128 is 470450-74-9.
What is the molecular formula of BAS 02239128?
The molecular formula of BAS 02239128 is C19H16BrN3O4S.
What is the molecular weight of BAS 02239128?
The molecular weight of BAS 02239128 is 461.00 g/mol.
Where can I buy BAS 02239128?
You can request a quote for BAS 02239128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02239128?
Yes, KEHONG BIO provides custom synthesis services for BAS 02239128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.