ChemDiv1_002912
TL;DR: ChemDiv1_002912 (CAS 430426-89-4) is a chemical compound with molecular formula C27H24FN3O5S and molecular weight 521.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(4-fluorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: ChemDiv1_002912, 4-[({(2Z)-2-[(4-fluorophenyl)imino]-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid, (Z)-4-(2-((4-fluorophenyl)imino)-3-(4-methoxyphenethyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[(2Z)-2-[(4-FLUOROPHENYL)IMINO]-3-[2-(4-METHOXYPHENYL)ETHYL]-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOIC ACID, 4-[[2-(4-fluorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
| Molecular Formula | C27H24FN3O5S |
|---|---|
| Molecular Weight | 521.14 g/mol |
| LogP | 4.7355 |
| Topological Polar Surface Area | 108.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 521.1421 |
| Heavy Atoms | 37 |
| Complexity | 1311.378 |
Chemical Identifiers
| CAS Number | 430426-89-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCN2C(=O)CC(SC2=NC3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
ChemDiv1_002912 (CAS 430426-89-4), with molecular formula C27H24FN3O5S and molecular weight 521.14 g/mol. IUPAC: 4-[[2-(4-fluorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of ChemDiv1_002912
Property Insights of ChemDiv1_002912
The XLogP value of 4.7355 indicates that ChemDiv1_002912 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002912. Following Lipinski's Rule of Five, ChemDiv1_002912 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002912?
The CAS number of ChemDiv1_002912 is 430426-89-4.
What is the molecular formula of ChemDiv1_002912?
The molecular formula of ChemDiv1_002912 is C27H24FN3O5S.
What is the molecular weight of ChemDiv1_002912?
The molecular weight of ChemDiv1_002912 is 521.14 g/mol.
Where can I buy ChemDiv1_002912?
You can request a quote for ChemDiv1_002912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002912?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.