3-Chlorobenzyl 2H-chromene-3-carboxylate
TL;DR: 3-Chlorobenzyl 2H-chromene-3-carboxylate (CAS 2425105-08-2) is a chemical compound with molecular formula C17H13ClO3 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chlorophenyl)methyl 2H-chromene-3-carboxylate
Also Known As: 3-Chlorobenzyl 2H-chromene-3-carboxylate, (3-chlorophenyl)methyl 2H-chromene-3-carboxylate
| Molecular Formula | C17H13ClO3 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 3.8592 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.05533 |
| Heavy Atoms | 21 |
| Complexity | 706.68634 |
Chemical Identifiers
| CAS Number | 2425105-08-2 |
|---|---|
| SMILES | C1C(=CC2=CC=CC=C2O1)C(=O)OCC3=CC(=CC=C3)Cl |
Product Overview
3-Chlorobenzyl 2H-chromene-3-carboxylate (CAS 2425105-08-2), with molecular formula C17H13ClO3 and molecular weight 300.06 g/mol. IUPAC: (3-chlorophenyl)methyl 2H-chromene-3-carboxylate.
Chemical Property Profile of 3-Chlorobenzyl 2H-chromene-3-carboxylate
Property Insights of 3-Chlorobenzyl 2H-chromene-3-carboxylate
The XLogP value of 3.8592 indicates that 3-Chlorobenzyl 2H-chromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 3-Chlorobenzyl 2H-chromene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorobenzyl 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 3-Chlorobenzyl 2H-chromene-3-carboxylate?
The CAS number of 3-Chlorobenzyl 2H-chromene-3-carboxylate is 2425105-08-2.
What is the molecular formula of 3-Chlorobenzyl 2H-chromene-3-carboxylate?
The molecular formula of 3-Chlorobenzyl 2H-chromene-3-carboxylate is C17H13ClO3.
What is the molecular weight of 3-Chlorobenzyl 2H-chromene-3-carboxylate?
The molecular weight of 3-Chlorobenzyl 2H-chromene-3-carboxylate is 300.06 g/mol.
Where can I buy 3-Chlorobenzyl 2H-chromene-3-carboxylate?
You can request a quote for 3-Chlorobenzyl 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 3-Chlorobenzyl 2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorobenzyl 2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.