A3212/0136217
TL;DR: A3212/0136217 (CAS 522650-06-2) is a chemical compound with molecular formula C25H22FN3O2S and molecular weight 447.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-fluorophenyl)ethyl]-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
Also Known As: A3212/0136217, (2Z)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-N-phenyl-2-(phenylimino)-1,3-thiazinane-6-carboxamide, (Z)-3-(4-fluorophenethyl)-4-oxo-N-phenyl-2-(phenylimino)-1,3-thiazinane-6-carboxamide, 3-[2-(4-fluorophenyl)ethyl]-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide, (2Z)-3-[2-(4-FLUOROPHENYL)ETHYL]-4-OXO-N-PHENYL-2-(PHENYLIMINO)-13-THIAZINANE-6-CARBOXAMIDE
| Molecular Formula | C25H22FN3O2S |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 5.0287 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.14166 |
| Heavy Atoms | 32 |
| Complexity | 1105.0505 |
Chemical Identifiers
| CAS Number | 522650-06-2 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=CC=C2)N(C1=O)CCC3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4 |
Product Overview
A3212/0136217 (CAS 522650-06-2), with molecular formula C25H22FN3O2S and molecular weight 447.14 g/mol. IUPAC: 3-[2-(4-fluorophenyl)ethyl]-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of A3212/0136217
Property Insights of A3212/0136217
The XLogP value of 5.0287 indicates that A3212/0136217 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for A3212/0136217. Following Lipinski's Rule of Five, A3212/0136217 has 1 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 A3212/0136217?
The CAS number of A3212/0136217 is 522650-06-2.
What is the molecular formula of A3212/0136217?
The molecular formula of A3212/0136217 is C25H22FN3O2S.
What is the molecular weight of A3212/0136217?
The molecular weight of A3212/0136217 is 447.14 g/mol.
Where can I buy A3212/0136217?
You can request a quote for A3212/0136217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3212/0136217?
Yes, KEHONG BIO provides custom synthesis services for A3212/0136217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.