A3414/0144818
TL;DR: A3414/0144818 (CAS 522649-96-3) is a chemical compound with molecular formula C28H28FN3O3S and molecular weight 505.18 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-2-phenylimino-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide
Also Known As: A3414/0144818, (2Z)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-2-(phenylimino)-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide, (2Z)-3-[2-(4-FLUOROPHENYL)ETHYL]-4-OXO-2-(PHENYLIMINO)-N-(4-PROPOXYPHENYL)-13-THIAZINANE-6-CARBOXAMIDE, (Z)-3-(4-fluorophenethyl)-4-oxo-2-(phenylimino)-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide, 3-[2-(4-fluorophenyl)ethyl]-4-oxo-2-phenylimino-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide
| Molecular Formula | C28H28FN3O3S |
|---|---|
| Molecular Weight | 505.18 g/mol |
| LogP | 5.8175 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 505.18353 |
| Heavy Atoms | 36 |
| Complexity | 1200.9742 |
Chemical Identifiers
| CAS Number | 522649-96-3 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3)S2)CCC4=CC=C(C=C4)F |
Product Overview
A3414/0144818 (CAS 522649-96-3), with molecular formula C28H28FN3O3S and molecular weight 505.18 g/mol. IUPAC: 3-[2-(4-fluorophenyl)ethyl]-4-oxo-2-phenylimino-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of A3414/0144818
Property Insights of A3414/0144818
The XLogP value of 5.8175 indicates that A3414/0144818 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 A3414/0144818. Following Lipinski's Rule of Five, A3414/0144818 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 A3414/0144818?
The CAS number of A3414/0144818 is 522649-96-3.
What is the molecular formula of A3414/0144818?
The molecular formula of A3414/0144818 is C28H28FN3O3S.
What is the molecular weight of A3414/0144818?
The molecular weight of A3414/0144818 is 505.18 g/mol.
Where can I buy A3414/0144818?
You can request a quote for A3414/0144818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3414/0144818?
Yes, KEHONG BIO provides custom synthesis services for A3414/0144818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.