Ethyl 6-chlorochroman-4-one-2-carboxylate
TL;DR: Ethyl 6-chlorochroman-4-one-2-carboxylate (CAS 383-19-7) is a chemical compound with molecular formula C12H11ClO4 and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylate
Also Known As: Ethyl 6-chlorochroman-4-one-2-carboxylate, Sid 747035, 6-Chloro-4-oxo-2-chromancarboxylic acid ethyl ester, Ethyl-6-chlor-4-chromanon-2-carboxylat, ethyl 6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylate
| Molecular Formula | C12H11ClO4 |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.03459 |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 383-19-7 |
|---|---|
| SMILES | CCOC(=O)C1CC(=O)C2=C(O1)C=CC(=C2)Cl |
| InChIKey | QYSBIMNJSKDDRV-UHFFFAOYSA-N |
Product Overview
Ethyl 6-chlorochroman-4-one-2-carboxylate (CAS 383-19-7), with molecular formula C12H11ClO4 and molecular weight 254.03 g/mol. IUPAC: ethyl 6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylate.
Chemical Property Profile of Ethyl 6-chlorochroman-4-one-2-carboxylate
Property Insights of Ethyl 6-chlorochroman-4-one-2-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-chlorochroman-4-one-2-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 6-chlorochroman-4-one-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-chlorochroman-4-one-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 6-chlorochroman-4-one-2-carboxylate?
The CAS number of Ethyl 6-chlorochroman-4-one-2-carboxylate is 383-19-7.
What is the molecular formula of Ethyl 6-chlorochroman-4-one-2-carboxylate?
The molecular formula of Ethyl 6-chlorochroman-4-one-2-carboxylate is C12H11ClO4.
What is the molecular weight of Ethyl 6-chlorochroman-4-one-2-carboxylate?
The molecular weight of Ethyl 6-chlorochroman-4-one-2-carboxylate is 254.03 g/mol.
Where can I buy Ethyl 6-chlorochroman-4-one-2-carboxylate?
You can request a quote for Ethyl 6-chlorochroman-4-one-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-chlorochroman-4-one-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-chlorochroman-4-one-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.