ChemDiv1_017998
TL;DR: ChemDiv1_017998 (CAS 361995-69-9) is a chemical compound with molecular formula C28H27N3O4S and molecular weight 501.17 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-(2-phenylethylimino)-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: ChemDiv1_017998, A2457/0104271, 4-[({(2Z)-4-oxo-3-(2-phenylethyl)-2-[(2-phenylethyl)imino]-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid, (Z)-4-(4-oxo-3-phenethyl-2-(phenethylimino)-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[(4-oxo-3-phenethyl-2-phenethylimino-1,3-thiazinane-6-carbonyl)amino]benzoic acid
| Molecular Formula | C28H27N3O4S |
|---|---|
| Molecular Weight | 501.17 g/mol |
| LogP | 4.4988 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 501.17224 |
| Heavy Atoms | 36 |
| Complexity | 1230.6692 |
Chemical Identifiers
| CAS Number | 361995-69-9 |
|---|---|
| SMILES | C1C(SC(=NCCC2=CC=CC=C2)N(C1=O)CCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
ChemDiv1_017998 (CAS 361995-69-9), with molecular formula C28H27N3O4S and molecular weight 501.17 g/mol. IUPAC: 4-[[4-oxo-3-(2-phenylethyl)-2-(2-phenylethylimino)-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of ChemDiv1_017998
Property Insights of ChemDiv1_017998
The XLogP value of 4.4988 indicates that ChemDiv1_017998 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_017998. Following Lipinski's Rule of Five, ChemDiv1_017998 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 ChemDiv1_017998?
The CAS number of ChemDiv1_017998 is 361995-69-9.
What is the molecular formula of ChemDiv1_017998?
The molecular formula of ChemDiv1_017998 is C28H27N3O4S.
What is the molecular weight of ChemDiv1_017998?
The molecular weight of ChemDiv1_017998 is 501.17 g/mol.
Where can I buy ChemDiv1_017998?
You can request a quote for ChemDiv1_017998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017998?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.