A3222/0136734
TL;DR: A3222/0136734 (CAS 522650-23-3) is a chemical compound with molecular formula C26H21ClFN3O4S and molecular weight 525.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(4-chlorophenyl)imino-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: A3222/0136734, (Z)-4-(2-((4-chlorophenyl)imino)-3-(4-fluorophenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-({[2-[(4-CHLOROPHENYL)IMINO]-3-(4-FLUOROPHENETHYL)-4-OXO-1,3-THIAZINAN-6-YL]CARBONYL}AMINO)BENZOIC ACID, 4-({2-[(4-chlorophenyl)azamethylene]-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thi azaperhydroin-6-yl}carbonylamino)benzoic acid, 4-[({(2Z)-2-[(4-chlorophenyl)imino]-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid
| Molecular Formula | C26H21ClFN3O4S |
|---|---|
| Molecular Weight | 525.09 g/mol |
| LogP | 5.3803 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.0925 |
| Heavy Atoms | 36 |
| Complexity | 1298.2744 |
Chemical Identifiers
| CAS Number | 522650-23-3 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=C(C=C2)Cl)N(C1=O)CCC3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
A3222/0136734 (CAS 522650-23-3), with molecular formula C26H21ClFN3O4S and molecular weight 525.09 g/mol. IUPAC: 4-[[2-(4-chlorophenyl)imino-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of A3222/0136734
Property Insights of A3222/0136734
The XLogP value of 5.3803 indicates that A3222/0136734 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 A3222/0136734. Following Lipinski's Rule of Five, A3222/0136734 has 2 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 A3222/0136734?
The CAS number of A3222/0136734 is 522650-23-3.
What is the molecular formula of A3222/0136734?
The molecular formula of A3222/0136734 is C26H21ClFN3O4S.
What is the molecular weight of A3222/0136734?
The molecular weight of A3222/0136734 is 525.09 g/mol.
Where can I buy A3222/0136734?
You can request a quote for A3222/0136734 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3222/0136734?
Yes, KEHONG BIO provides custom synthesis services for A3222/0136734 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.