A3249/0138070
TL;DR: A3249/0138070 (CAS 587849-65-8) is a chemical compound with molecular formula C25H20FN3O4S and molecular weight 477.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-benzyl-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: A3249/0138070, (Z)-4-(3-benzyl-2-((3-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[({(2Z)-3-benzyl-2-[(3-fluorophenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid, 4-[[3-benzyl-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
| Molecular Formula | C25H20FN3O4S |
|---|---|
| Molecular Weight | 477.12 g/mol |
| LogP | 4.6844 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.11584 |
| Heavy Atoms | 34 |
| Complexity | 1248.5303 |
Chemical Identifiers
| CAS Number | 587849-65-8 |
|---|---|
| SMILES | C1C(SC(=NC2=CC(=CC=C2)F)N(C1=O)CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
A3249/0138070 (CAS 587849-65-8), with molecular formula C25H20FN3O4S and molecular weight 477.12 g/mol. IUPAC: 4-[[3-benzyl-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of A3249/0138070
Property Insights of A3249/0138070
The XLogP value of 4.6844 indicates that A3249/0138070 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 A3249/0138070. Following Lipinski's Rule of Five, A3249/0138070 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 A3249/0138070?
The CAS number of A3249/0138070 is 587849-65-8.
What is the molecular formula of A3249/0138070?
The molecular formula of A3249/0138070 is C25H20FN3O4S.
What is the molecular weight of A3249/0138070?
The molecular weight of A3249/0138070 is 477.12 g/mol.
Where can I buy A3249/0138070?
You can request a quote for A3249/0138070 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3249/0138070?
Yes, KEHONG BIO provides custom synthesis services for A3249/0138070 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.