2H-1-苯并吡喃-3-甲腈
TL;DR: 2H-1-苯并吡喃-3-甲腈 (CAS 57543-66-5) is a chemical compound with molecular formula C10H7NO and molecular weight 157.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2H-1-苯并吡喃-3-甲腈
2H-chromene-3-carbonitrile
Also Known As: 2H-chromene-3-carbonitrile, 3-cyanochromene, 2H-1-BENZOPYRAN-3-CARBONITRILE, N-Cyclohexylaniline, chromene-3-carbonitrile
| Molecular Formula | C10H7NO |
|---|---|
| Molecular Weight | 157.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.05276 |
| Heavy Atoms | 12 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 57543-66-5 |
|---|---|
| SMILES | C1C(=CC2=CC=CC=C2O1)C#N |
| InChIKey | NQOLOKKZYCSJRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-1-苯并吡喃-3-甲腈 (CAS 57543-66-5), with molecular formula C10H7NO and molecular weight 157.05 g/mol. IUPAC: 2H-chromene-3-carbonitrile.
Chemical Property Profile of 2H-1-苯并吡喃-3-甲腈
Property Insights of 2H-1-苯并吡喃-3-甲腈
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-苯并吡喃-3-甲腈. With a topological polar surface area (TPSA) of 33.0 Ų, 2H-1-苯并吡喃-3-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-苯并吡喃-3-甲腈 has 0 hydrogen bond donor(s) and 2 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-苯并吡喃-3-甲腈?
The CAS number of 2H-1-苯并吡喃-3-甲腈 is 57543-66-5.
What is the molecular formula of 2H-1-苯并吡喃-3-甲腈?
The molecular formula of 2H-1-苯并吡喃-3-甲腈 is C10H7NO.
What is the molecular weight of 2H-1-苯并吡喃-3-甲腈?
The molecular weight of 2H-1-苯并吡喃-3-甲腈 is 157.05 g/mol.
Where can I buy 2H-1-苯并吡喃-3-甲腈?
You can request a quote for 2H-1-苯并吡喃-3-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-苯并吡喃-3-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-苯并吡喃-3-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.