2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)-
TL;DR: 2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)- (CAS 500883-70-5) is a chemical compound with molecular formula C10H6NO6P and molecular weight 266.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyano-2-oxochromen-7-yl) dihydrogen phosphate
Also Known As: 5-METHOXY-2,7-DIMETHYL-BENZOXAZOLE, (3-cyano-2-oxochromen-7-yl) dihydrogen phosphate, 2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)-, (3-cyano-2-oxo-chromen-7-yl)oxyphosphonic Acid, 3-Cyano-2-oxo-2H-1-benzopyran-7-yl dihydrogen phosphate
| Molecular Formula | C10H6NO6P |
|---|---|
| Molecular Weight | 266.99 g/mol |
| LogP | 1.13618 |
| Topological Polar Surface Area | 120.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.9933 |
| Heavy Atoms | 18 |
| Complexity | 753.0325 |
Chemical Identifiers
| CAS Number | 500883-70-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1OP(=O)(O)O)OC(=O)C(=C2)C#N |
Product Overview
2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)- (CAS 500883-70-5), with molecular formula C10H6NO6P and molecular weight 266.99 g/mol. IUPAC: (3-cyano-2-oxochromen-7-yl) dihydrogen phosphate.
Chemical Property Profile of 2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)-
Property Insights of 2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)-
The XLogP value of 1.13618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)-. The TPSA of 120.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)- has 2 hydrogen bond donor(s) and 5 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 2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)-?
The CAS number of 2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)- is 500883-70-5.
What is the molecular formula of 2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)-?
The molecular formula of 2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)- is C10H6NO6P.
What is the molecular weight of 2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)-?
The molecular weight of 2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)- is 266.99 g/mol.
Where can I buy 2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)-?
You can request a quote for 2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-3-carbonitrile, 2-oxo-7-(phosphonooxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.