2-亚甲基-3-氧代环戊烷-1-甲腈
TL;DR: 2-亚甲基-3-氧代环戊烷-1-甲腈 (CAS 82093-32-1) is a chemical compound with molecular formula C7H7NO and molecular weight 121.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-亚甲基-3-氧代环戊烷-1-甲腈
2-methylidene-3-oxocyclopentane-1-carbonitrile
Also Known As: Cyclopentanecarbonitrile, 2-methylene-3-oxo-, 2-Methylene-3-oxo-cyclopentanecarbonitrile, 2-methylidene-3-oxocyclopentane-1-carbonitrile, 2-methylene 3-oxo cyclopentane carbonitrile
| Molecular Formula | C7H7NO |
|---|---|
| Molecular Weight | 121.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.052765 |
| Heavy Atoms | 9 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 82093-32-1 |
|---|---|
| SMILES | C=C1C(CCC1=O)C#N |
| InChIKey | DPAMNLOHRQBZPH-UHFFFAOYSA-N |
Product Overview
2-亚甲基-3-氧代环戊烷-1-甲腈 (CAS 82093-32-1), with molecular formula C7H7NO and molecular weight 121.05 g/mol. IUPAC: 2-methylidene-3-oxocyclopentane-1-carbonitrile.
Chemical Property Profile of 2-亚甲基-3-氧代环戊烷-1-甲腈
Property Insights of 2-亚甲基-3-氧代环戊烷-1-甲腈
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-亚甲基-3-氧代环戊烷-1-甲腈. With a topological polar surface area (TPSA) of 40.9 Ų, 2-亚甲基-3-氧代环戊烷-1-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-亚甲基-3-氧代环戊烷-1-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-亚甲基-3-氧代环戊烷-1-甲腈?
The CAS number of 2-亚甲基-3-氧代环戊烷-1-甲腈 is 82093-32-1.
What is the molecular formula of 2-亚甲基-3-氧代环戊烷-1-甲腈?
The molecular formula of 2-亚甲基-3-氧代环戊烷-1-甲腈 is C7H7NO.
What is the molecular weight of 2-亚甲基-3-氧代环戊烷-1-甲腈?
The molecular weight of 2-亚甲基-3-氧代环戊烷-1-甲腈 is 121.05 g/mol.
Where can I buy 2-亚甲基-3-氧代环戊烷-1-甲腈?
You can request a quote for 2-亚甲基-3-氧代环戊烷-1-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-亚甲基-3-氧代环戊烷-1-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-亚甲基-3-氧代环戊烷-1-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.