2-甲基-2H-1-苯并吡喃-3-甲腈
TL;DR: 2-甲基-2H-1-苯并吡喃-3-甲腈 (CAS 57543-73-4) is a chemical compound with molecular formula C11H9NO and molecular weight 171.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-2H-1-苯并吡喃-3-甲腈
2-methyl-2H-chromene-3-carbonitrile
Also Known As: 2-Methyl-2H-1-benzopyran-3-carbonitrile, 2-methyl-2H-chromene-3-carbonitrile, 2H-1-BENZOPYRAN-3-CARBONITRILE, 2-METHYL-, 2H-1-BENZOPYRAN-3-CARBONITRILE,2-METHYL, BRN 1368868
| Molecular Formula | C11H9NO |
|---|---|
| Molecular Weight | 171.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.06842 |
| Heavy Atoms | 13 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 57543-73-4 |
|---|---|
| SMILES | CC1C(=CC2=CC=CC=C2O1)C#N |
| InChIKey | SFTWTNJNZKFQLN-UHFFFAOYSA-N |
Product Overview
2-甲基-2H-1-苯并吡喃-3-甲腈 (CAS 57543-73-4), with molecular formula C11H9NO and molecular weight 171.07 g/mol. IUPAC: 2-methyl-2H-chromene-3-carbonitrile.
Chemical Property Profile of 2-甲基-2H-1-苯并吡喃-3-甲腈
Property Insights of 2-甲基-2H-1-苯并吡喃-3-甲腈
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-2H-1-苯并吡喃-3-甲腈. With a topological polar surface area (TPSA) of 33.0 Ų, 2-甲基-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, 2-甲基-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 2-甲基-2H-1-苯并吡喃-3-甲腈?
The CAS number of 2-甲基-2H-1-苯并吡喃-3-甲腈 is 57543-73-4.
What is the molecular formula of 2-甲基-2H-1-苯并吡喃-3-甲腈?
The molecular formula of 2-甲基-2H-1-苯并吡喃-3-甲腈 is C11H9NO.
What is the molecular weight of 2-甲基-2H-1-苯并吡喃-3-甲腈?
The molecular weight of 2-甲基-2H-1-苯并吡喃-3-甲腈 is 171.07 g/mol.
Where can I buy 2-甲基-2H-1-苯并吡喃-3-甲腈?
You can request a quote for 2-甲基-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 2-甲基-2H-1-苯并吡喃-3-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-2H-1-苯并吡喃-3-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.