ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate
TL;DR: ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate (CAS 737814-41-4) is a chemical compound with molecular formula C15H12ClNO5 and molecular weight 321.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-iminopyran-3-carboxylate
Also Known As: ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate, ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-iminopyran-3-carboxylate
| Molecular Formula | C15H12ClNO5 |
|---|---|
| Molecular Weight | 321.04 g/mol |
| LogP | 2.52577 |
| Topological Polar Surface Area | 100.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.0404 |
| Heavy Atoms | 22 |
| Complexity | 796.7601 |
Chemical Identifiers
| CAS Number | 737814-41-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=COC1=N)C(=O)C2=C(C=CC(=C2)Cl)O |
Product Overview
ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate (CAS 737814-41-4), with molecular formula C15H12ClNO5 and molecular weight 321.04 g/mol. IUPAC: ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-iminopyran-3-carboxylate.
Chemical Property Profile of ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate
Property Insights of ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate
The XLogP value of 2.52577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate. The TPSA of 100.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate 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 ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate?
The CAS number of ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate is 737814-41-4.
What is the molecular formula of ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate?
The molecular formula of ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate is C15H12ClNO5.
What is the molecular weight of ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate?
The molecular weight of ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate is 321.04 g/mol.
Where can I buy ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate?
You can request a quote for ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(5-chloro-2-hydroxybenzoyl)-2-imino-2H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.