benzyl 2H-chromene-3-carboxylate
TL;DR: benzyl 2H-chromene-3-carboxylate (CAS 338419-75-3) is a chemical compound with molecular formula C17H14O3 and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2H-chromene-3-carboxylate
Also Known As: benzyl 2H-chromene-3-carboxylate, 4G-368S, 2H-1-benzopyran-3-carboxylic acid, phenylmethyl ester
| Molecular Formula | C17H14O3 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | 3.2058 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0943 |
| Heavy Atoms | 20 |
| Complexity | 644.2945 |
Chemical Identifiers
| CAS Number | 338419-75-3 |
|---|---|
| SMILES | C1C(=CC2=CC=CC=C2O1)C(=O)OCC3=CC=CC=C3 |
Product Overview
benzyl 2H-chromene-3-carboxylate (CAS 338419-75-3), with molecular formula C17H14O3 and molecular weight 266.09 g/mol. IUPAC: benzyl 2H-chromene-3-carboxylate.
Chemical Property Profile of benzyl 2H-chromene-3-carboxylate
Property Insights of benzyl 2H-chromene-3-carboxylate
The XLogP value of 3.2058 indicates that benzyl 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, benzyl 2H-chromene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl 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 benzyl 2H-chromene-3-carboxylate?
The CAS number of benzyl 2H-chromene-3-carboxylate is 338419-75-3.
What is the molecular formula of benzyl 2H-chromene-3-carboxylate?
The molecular formula of benzyl 2H-chromene-3-carboxylate is C17H14O3.
What is the molecular weight of benzyl 2H-chromene-3-carboxylate?
The molecular weight of benzyl 2H-chromene-3-carboxylate is 266.09 g/mol.
Where can I buy benzyl 2H-chromene-3-carboxylate?
You can request a quote for benzyl 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 benzyl 2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.