ethyl 6-chloro-2H-chromene-3-carboxylate
TL;DR: ethyl 6-chloro-2H-chromene-3-carboxylate (CAS 66670-54-0) is a chemical compound with molecular formula C12H11ClO3 and molecular weight 238.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-chloro-2H-chromene-3-carboxylate
Also Known As: ethyl 6-chloro-2H-chromene-3-carboxylate, 6-CHLORO-2H-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER, 5960AH, 4G-419S, Ethyl6-chloro-2H-chromene-3-carboxylate
| Molecular Formula | C12H11ClO3 |
|---|---|
| Molecular Weight | 238.04 g/mol |
| LogP | 2.6789 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.03967 |
| Heavy Atoms | 16 |
| Complexity | 451.57715 |
Chemical Identifiers
| CAS Number | 66670-54-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=CC(=C2)Cl)OC1 |
Product Overview
ethyl 6-chloro-2H-chromene-3-carboxylate (CAS 66670-54-0), with molecular formula C12H11ClO3 and molecular weight 238.04 g/mol. IUPAC: ethyl 6-chloro-2H-chromene-3-carboxylate.
Chemical Property Profile of ethyl 6-chloro-2H-chromene-3-carboxylate
Property Insights of ethyl 6-chloro-2H-chromene-3-carboxylate
The XLogP value of 2.6789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-chloro-2H-chromene-3-carboxylate. With a topological polar surface area (TPSA) of 35.53 Ų, ethyl 6-chloro-2H-chromene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 6-chloro-2H-chromene-3-carboxylate has 0 hydrogen bond donor(s) and 3 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-chloro-2H-chromene-3-carboxylate?
The CAS number of ethyl 6-chloro-2H-chromene-3-carboxylate is 66670-54-0.
What is the molecular formula of ethyl 6-chloro-2H-chromene-3-carboxylate?
The molecular formula of ethyl 6-chloro-2H-chromene-3-carboxylate is C12H11ClO3.
What is the molecular weight of ethyl 6-chloro-2H-chromene-3-carboxylate?
The molecular weight of ethyl 6-chloro-2H-chromene-3-carboxylate is 238.04 g/mol.
Where can I buy ethyl 6-chloro-2H-chromene-3-carboxylate?
You can request a quote for ethyl 6-chloro-2H-chromene-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 6-chloro-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-chloro-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.