4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)-
TL;DR: 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)- (CAS 5464-73-3) is a chemical compound with molecular formula C17H11NO3 and molecular weight 277.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-7-phenylmethoxychromene-2-carbonitrile
Also Known As: 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)-, 5-18-09-00080 (Beilstein Handbook Reference), 4-Oxo-7-(phenylmethoxy)-4H-1-benzopyran-2-carbonitrile, 4-oxo-7-phenylmethoxychromene-2-carbonitrile, 7-(benzyloxy)-4-oxo-4h-chromene-2-carbonitrile
| Molecular Formula | C17H11NO3 |
|---|---|
| Molecular Weight | 277.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.07388 |
| Heavy Atoms | 21 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 5464-73-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=O)C=C(O3)C#N |
| InChIKey | KXWDRZJUSGYAEZ-UHFFFAOYSA-N |
Product Overview
4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)- (CAS 5464-73-3), with molecular formula C17H11NO3 and molecular weight 277.07 g/mol. IUPAC: 4-oxo-7-phenylmethoxychromene-2-carbonitrile.
Chemical Property Profile of 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)-
Property Insights of 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)-
The XLogP value of 3.7 indicates that 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)- 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 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)-?
The CAS number of 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)- is 5464-73-3.
What is the molecular formula of 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)-?
The molecular formula of 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)- is C17H11NO3.
What is the molecular weight of 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)-?
The molecular weight of 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)- is 277.07 g/mol.
Where can I buy 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)-?
You can request a quote for 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.