4-Chor-5-oxy-m-xylol
TL;DR: 4-Chor-5-oxy-m-xylol (CAS 5538-46-5) is a chemical compound with molecular formula C20H23NO4 and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-(2,5-dimethylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
Also Known As: 4-Chor-5-oxy-m-xylol, BAS 00513001, ethyl 2-amino-4-(2,5-dimethylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate, BIM-0023140.P001, Ethyl 2-amino-4-(2,5-dimethylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
| Molecular Formula | C20H23NO4 |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 3.15774 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.16272 |
| Heavy Atoms | 25 |
| Complexity | 803.91425 |
Chemical Identifiers
| CAS Number | 5538-46-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)C)C)C(=O)CCC2)N |
Product Overview
4-Chor-5-oxy-m-xylol (CAS 5538-46-5), with molecular formula C20H23NO4 and molecular weight 341.16 g/mol. IUPAC: ethyl 2-amino-4-(2,5-dimethylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate.
Chemical Property Profile of 4-Chor-5-oxy-m-xylol
Property Insights of 4-Chor-5-oxy-m-xylol
The XLogP value of 3.15774 indicates that 4-Chor-5-oxy-m-xylol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chor-5-oxy-m-xylol. Following Lipinski's Rule of Five, 4-Chor-5-oxy-m-xylol has 1 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 4-Chor-5-oxy-m-xylol?
The CAS number of 4-Chor-5-oxy-m-xylol is 5538-46-5.
What is the molecular formula of 4-Chor-5-oxy-m-xylol?
The molecular formula of 4-Chor-5-oxy-m-xylol is C20H23NO4.
What is the molecular weight of 4-Chor-5-oxy-m-xylol?
The molecular weight of 4-Chor-5-oxy-m-xylol is 341.16 g/mol.
Where can I buy 4-Chor-5-oxy-m-xylol?
You can request a quote for 4-Chor-5-oxy-m-xylol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chor-5-oxy-m-xylol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chor-5-oxy-m-xylol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.