A3250/0138077
TL;DR: A3250/0138077 (CAS 587849-24-9) is a chemical compound with molecular formula C26H22F3N3O3S and molecular weight 513.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-N-(3-methoxyphenyl)-4-oxo-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
Also Known As: A3250/0138077, (2Z)-3-benzyl-N-(3-methoxyphenyl)-4-oxo-2-{[4-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide, (2Z)-3-BENZYL-N-(3-METHOXYPHENYL)-4-OXO-2-{[4-(TRIFLUOROMETHYL)PHENYL]IMINO}-13-THIAZINANE-6-CARBOXAMIDE, (Z)-3-benzyl-N-(3-methoxyphenyl)-4-oxo-2-((4-(trifluoromethyl)phenyl)imino)-1,3-thiazinane-6-carboxamide, 3-benzyl-N-(3-methoxyphenyl)-4-oxo-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
| Molecular Formula | C26H22F3N3O3S |
|---|---|
| Molecular Weight | 513.13 g/mol |
| LogP | 5.8745 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 513.1334 |
| Heavy Atoms | 36 |
| Complexity | 1264.676 |
Chemical Identifiers
| CAS Number | 587849-24-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)C(F)(F)F)S2)CC4=CC=CC=C4 |
Product Overview
A3250/0138077 (CAS 587849-24-9), with molecular formula C26H22F3N3O3S and molecular weight 513.13 g/mol. IUPAC: 3-benzyl-N-(3-methoxyphenyl)-4-oxo-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of A3250/0138077
Property Insights of A3250/0138077
The XLogP value of 5.8745 indicates that A3250/0138077 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A3250/0138077. Following Lipinski's Rule of Five, A3250/0138077 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3250/0138077?
The CAS number of A3250/0138077 is 587849-24-9.
What is the molecular formula of A3250/0138077?
The molecular formula of A3250/0138077 is C26H22F3N3O3S.
What is the molecular weight of A3250/0138077?
The molecular weight of A3250/0138077 is 513.13 g/mol.
Where can I buy A3250/0138077?
You can request a quote for A3250/0138077 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3250/0138077?
Yes, KEHONG BIO provides custom synthesis services for A3250/0138077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.