Ethyl-6-chloro-4-hydroxychroman-2-carboxylate
TL;DR: Ethyl-6-chloro-4-hydroxychroman-2-carboxylate (CAS 72914-10-4) is a chemical compound with molecular formula C12H13ClO4 and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate
Also Known As: ECHCC, Ethyl-6-chloro-4-hydroxychroman-2-carboxylate, 6-Chloro-4-hydroxychroman-2-carboxylic-acid ethyl ester, 2H-1-Benzopyran-2-carboxylic acid, 6-chloro-3,4-dihydro-4-hydroxy-, ethyl ester, 2H-1-Benzopyran-2-carboxylicacid, 6-chloro-3,4-dihydro-4-hydroxy-, ethyl ester
| Molecular Formula | C12H13ClO4 |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.05023 |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 72914-10-4 |
|---|---|
| SMILES | CCOC(=O)C1CC(C2=C(O1)C=CC(=C2)Cl)O |
| InChIKey | UWQQUFIYYKCZGB-UHFFFAOYSA-N |
Product Overview
Ethyl-6-chloro-4-hydroxychroman-2-carboxylate (CAS 72914-10-4), with molecular formula C12H13ClO4 and molecular weight 256.05 g/mol. IUPAC: ethyl 6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate.
Chemical Property Profile of Ethyl-6-chloro-4-hydroxychroman-2-carboxylate
Property Insights of Ethyl-6-chloro-4-hydroxychroman-2-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl-6-chloro-4-hydroxychroman-2-carboxylate. With a topological polar surface area (TPSA) of 55.8 Ų, Ethyl-6-chloro-4-hydroxychroman-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl-6-chloro-4-hydroxychroman-2-carboxylate has 1 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-chloro-4-hydroxychroman-2-carboxylate?
The CAS number of Ethyl-6-chloro-4-hydroxychroman-2-carboxylate is 72914-10-4.
What is the molecular formula of Ethyl-6-chloro-4-hydroxychroman-2-carboxylate?
The molecular formula of Ethyl-6-chloro-4-hydroxychroman-2-carboxylate is C12H13ClO4.
What is the molecular weight of Ethyl-6-chloro-4-hydroxychroman-2-carboxylate?
The molecular weight of Ethyl-6-chloro-4-hydroxychroman-2-carboxylate is 256.05 g/mol.
Where can I buy Ethyl-6-chloro-4-hydroxychroman-2-carboxylate?
You can request a quote for Ethyl-6-chloro-4-hydroxychroman-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-chloro-4-hydroxychroman-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl-6-chloro-4-hydroxychroman-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.