4-Cyanobenzyl 2H-chromene-3-carboxylate
TL;DR: 4-Cyanobenzyl 2H-chromene-3-carboxylate (CAS 869871-56-7) is a chemical compound with molecular formula C18H13NO3 and molecular weight 291.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl)methyl 2H-chromene-3-carboxylate
Also Known As: 4-Cyanobenzyl 2H-chromene-3-carboxylate, (4-cyanophenyl)methyl 2H-chromene-3-carboxylate
| Molecular Formula | C18H13NO3 |
|---|---|
| Molecular Weight | 291.09 g/mol |
| LogP | 3.07748 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.08954 |
| Heavy Atoms | 22 |
| Complexity | 769.6644 |
Chemical Identifiers
| CAS Number | 869871-56-7 |
|---|---|
| SMILES | C1C(=CC2=CC=CC=C2O1)C(=O)OCC3=CC=C(C=C3)C#N |
Product Overview
4-Cyanobenzyl 2H-chromene-3-carboxylate (CAS 869871-56-7), with molecular formula C18H13NO3 and molecular weight 291.09 g/mol. IUPAC: (4-cyanophenyl)methyl 2H-chromene-3-carboxylate.
Chemical Property Profile of 4-Cyanobenzyl 2H-chromene-3-carboxylate
Property Insights of 4-Cyanobenzyl 2H-chromene-3-carboxylate
The XLogP value of 3.07748 indicates that 4-Cyanobenzyl 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 59.32 Ų, 4-Cyanobenzyl 2H-chromene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanobenzyl 2H-chromene-3-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 4-Cyanobenzyl 2H-chromene-3-carboxylate?
The CAS number of 4-Cyanobenzyl 2H-chromene-3-carboxylate is 869871-56-7.
What is the molecular formula of 4-Cyanobenzyl 2H-chromene-3-carboxylate?
The molecular formula of 4-Cyanobenzyl 2H-chromene-3-carboxylate is C18H13NO3.
What is the molecular weight of 4-Cyanobenzyl 2H-chromene-3-carboxylate?
The molecular weight of 4-Cyanobenzyl 2H-chromene-3-carboxylate is 291.09 g/mol.
Where can I buy 4-Cyanobenzyl 2H-chromene-3-carboxylate?
You can request a quote for 4-Cyanobenzyl 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 4-Cyanobenzyl 2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanobenzyl 2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.