2H-1-Benzopyran-3-carbonitrile, 5-methoxy-
TL;DR: 2H-1-Benzopyran-3-carbonitrile, 5-methoxy- (CAS 57543-72-3) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2H-chromene-3-carbonitrile
Also Known As: 5-Methoxy-2H-1-benzopyran-3-carbonitrile, 5-methoxy-2H-chromene-3-carbonitrile, 2H-1-BENZOPYRAN-3-CARBONITRILE, 5-METHOXY-, 5-18-07-00360 (Beilstein Handbook Reference), BRN 1372920
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 57543-72-3 |
|---|---|
| SMILES | COC1=CC=CC2=C1C=C(CO2)C#N |
| InChIKey | KSVQCKSTIKMJNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-1-Benzopyran-3-carbonitrile, 5-methoxy- (CAS 57543-72-3), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 5-methoxy-2H-chromene-3-carbonitrile.
Chemical Property Profile of 2H-1-Benzopyran-3-carbonitrile, 5-methoxy-
Property Insights of 2H-1-Benzopyran-3-carbonitrile, 5-methoxy-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-3-carbonitrile, 5-methoxy-. With a topological polar surface area (TPSA) of 42.3 Ų, 2H-1-Benzopyran-3-carbonitrile, 5-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-3-carbonitrile, 5-methoxy- 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 2H-1-Benzopyran-3-carbonitrile, 5-methoxy-?
The CAS number of 2H-1-Benzopyran-3-carbonitrile, 5-methoxy- is 57543-72-3.
What is the molecular formula of 2H-1-Benzopyran-3-carbonitrile, 5-methoxy-?
The molecular formula of 2H-1-Benzopyran-3-carbonitrile, 5-methoxy- is C11H9NO2.
What is the molecular weight of 2H-1-Benzopyran-3-carbonitrile, 5-methoxy-?
The molecular weight of 2H-1-Benzopyran-3-carbonitrile, 5-methoxy- is 187.06 g/mol.
Where can I buy 2H-1-Benzopyran-3-carbonitrile, 5-methoxy-?
You can request a quote for 2H-1-Benzopyran-3-carbonitrile, 5-methoxy- 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, 5-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-3-carbonitrile, 5-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.