ChemDiv1_003088
TL;DR: ChemDiv1_003088 (CAS 385389-37-7) is a chemical compound with molecular formula C26H23N3O4S and molecular weight 473.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-oxo-3-(2-phenylethyl)-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: ChemDiv1_003088, BAS 02280693, 4-({[(2Z)-4-oxo-3-(2-phenylethyl)-2-(phenylimino)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid, (Z)-4-(4-oxo-3-phenethyl-2-(phenylimino)-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[(4-oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoic acid
| Molecular Formula | C26H23N3O4S |
|---|---|
| Molecular Weight | 473.14 g/mol |
| LogP | 4.5878 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.14093 |
| Heavy Atoms | 34 |
| Complexity | 1197.735 |
Chemical Identifiers
| CAS Number | 385389-37-7 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=CC=C2)N(C1=O)CCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
ChemDiv1_003088 (CAS 385389-37-7), with molecular formula C26H23N3O4S and molecular weight 473.14 g/mol. IUPAC: 4-[[4-oxo-3-(2-phenylethyl)-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of ChemDiv1_003088
Property Insights of ChemDiv1_003088
The XLogP value of 4.5878 indicates that ChemDiv1_003088 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 ChemDiv1_003088. Following Lipinski's Rule of Five, ChemDiv1_003088 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003088?
The CAS number of ChemDiv1_003088 is 385389-37-7.
What is the molecular formula of ChemDiv1_003088?
The molecular formula of ChemDiv1_003088 is C26H23N3O4S.
What is the molecular weight of ChemDiv1_003088?
The molecular weight of ChemDiv1_003088 is 473.14 g/mol.
Where can I buy ChemDiv1_003088?
You can request a quote for ChemDiv1_003088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003088?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.