3-甲基壬-2-烯腈
TL;DR: 3-甲基壬-2-烯腈 (CAS 53153-66-5) is a chemical compound with molecular formula C10H17N and molecular weight 151.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基壬-2-烯腈
3-methylnon-2-enenitrile
Also Known As: 3-Methylnon-2-enenitrile, (Z)-3-methylnon-2-enenitrile, (2Z)-3-Methyl-2-nonenenitrile, 2-NONENENITRILE, 3-METHYL-, 258-398-9
| Molecular Formula | C10H17N |
|---|---|
| Molecular Weight | 151.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 151.1361 |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 53153-66-5 |
|---|---|
| SMILES | CCCCCCC(=CC#N)C |
| InChIKey | MQAQVKBUJPAQIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基壬-2-烯腈 (CAS 53153-66-5), with molecular formula C10H17N and molecular weight 151.14 g/mol. IUPAC: 3-methylnon-2-enenitrile.
Chemical Property Profile of 3-甲基壬-2-烯腈
Property Insights of 3-甲基壬-2-烯腈
The XLogP value of 4.0 indicates that 3-甲基壬-2-烯腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 3-甲基壬-2-烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基壬-2-烯腈 has 0 hydrogen bond donor(s) and 1 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 3-甲基壬-2-烯腈?
The CAS number of 3-甲基壬-2-烯腈 is 53153-66-5.
What is the molecular formula of 3-甲基壬-2-烯腈?
The molecular formula of 3-甲基壬-2-烯腈 is C10H17N.
What is the molecular weight of 3-甲基壬-2-烯腈?
The molecular weight of 3-甲基壬-2-烯腈 is 151.14 g/mol.
Where can I buy 3-甲基壬-2-烯腈?
You can request a quote for 3-甲基壬-2-烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基壬-2-烯腈?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基壬-2-烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.