ChemDiv1_010273
TL;DR: ChemDiv1_010273 (CAS 442554-80-5) is a chemical compound with molecular formula C21H21N3O5S and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-ethyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: ChemDiv1_010273, BAS 02281135, 4-[({3-ethyl-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid, (Z)-4-(3-ethyl-2-((4-methoxyphenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[[3-ethyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
| Molecular Formula | C21H21N3O5S |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 3.3736 |
| Topological Polar Surface Area | 108.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.12018 |
| Heavy Atoms | 30 |
| Complexity | 973.1413 |
Chemical Identifiers
| CAS Number | 442554-80-5 |
|---|---|
| SMILES | CCN1C(=O)CC(SC1=NC2=CC=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
ChemDiv1_010273 (CAS 442554-80-5), with molecular formula C21H21N3O5S and molecular weight 427.12 g/mol. IUPAC: 4-[[3-ethyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of ChemDiv1_010273
Property Insights of ChemDiv1_010273
The XLogP value of 3.3736 indicates that ChemDiv1_010273 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_010273. Following Lipinski's Rule of Five, ChemDiv1_010273 has 2 hydrogen bond donor(s) and 6 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_010273?
The CAS number of ChemDiv1_010273 is 442554-80-5.
What is the molecular formula of ChemDiv1_010273?
The molecular formula of ChemDiv1_010273 is C21H21N3O5S.
What is the molecular weight of ChemDiv1_010273?
The molecular weight of ChemDiv1_010273 is 427.12 g/mol.
Where can I buy ChemDiv1_010273?
You can request a quote for ChemDiv1_010273 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010273?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010273 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.