ChemDiv3_004875
TL;DR: ChemDiv3_004875 (CAS 522637-53-2) is a chemical compound with molecular formula C19H18N2O5S2 and molecular weight 418.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxylic acid
Also Known As: ChemDiv3_004875, IDI1_022785, BRD-A29047180-001-01-5, (Z)-2-((4-(ethoxycarbonyl)phenyl)imino)-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxylic acid, (2Z)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxylic acid
| Molecular Formula | C19H18N2O5S2 |
|---|---|
| Molecular Weight | 418.07 g/mol |
| LogP | 3.5312 |
| Topological Polar Surface Area | 96.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.0657 |
| Heavy Atoms | 28 |
| Complexity | 893.5576 |
Chemical Identifiers
| CAS Number | 522637-53-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)O)CC3=CC=CS3 |
Product Overview
ChemDiv3_004875 (CAS 522637-53-2), with molecular formula C19H18N2O5S2 and molecular weight 418.07 g/mol. IUPAC: 2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazinane-6-carboxylic acid.
Chemical Property Profile of ChemDiv3_004875
Property Insights of ChemDiv3_004875
The XLogP value of 3.5312 indicates that ChemDiv3_004875 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004875. Following Lipinski's Rule of Five, ChemDiv3_004875 has 1 hydrogen bond donor(s) and 7 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 ChemDiv3_004875?
The CAS number of ChemDiv3_004875 is 522637-53-2.
What is the molecular formula of ChemDiv3_004875?
The molecular formula of ChemDiv3_004875 is C19H18N2O5S2.
What is the molecular weight of ChemDiv3_004875?
The molecular weight of ChemDiv3_004875 is 418.07 g/mol.
Where can I buy ChemDiv3_004875?
You can request a quote for ChemDiv3_004875 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004875?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004875 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.