2-乙基-3-甲基戊腈
TL;DR: 2-乙基-3-甲基戊腈 (CAS 29770-73-8) is a chemical compound with molecular formula C8H15N and molecular weight 125.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙基-3-甲基戊腈
2-ethyl-3-methylpentanenitrile
Also Known As: 2-ethyl-3-methylpentanenitrile, 2-Ethyl-3-methylvaleronitrile, 2-ethyl-3-methyl-valeronitrile, 2-ethyl-3-methyl-pentanonitrile, Pentanenitrile,2-ethyl-3-methyl-
| Molecular Formula | C8H15N |
|---|---|
| Molecular Weight | 125.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 125.12045 |
| Heavy Atoms | 9 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 29770-73-8 |
|---|---|
| SMILES | CCC(C)C(CC)C#N |
| InChIKey | JFGCXMPQNHUOAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙基-3-甲基戊腈 (CAS 29770-73-8), with molecular formula C8H15N and molecular weight 125.12 g/mol. IUPAC: 2-ethyl-3-methylpentanenitrile.
Chemical Property Profile of 2-乙基-3-甲基戊腈
Property Insights of 2-乙基-3-甲基戊腈
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙基-3-甲基戊腈. With a topological polar surface area (TPSA) of 23.8 Ų, 2-乙基-3-甲基戊腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙基-3-甲基戊腈 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 2-乙基-3-甲基戊腈?
The CAS number of 2-乙基-3-甲基戊腈 is 29770-73-8.
What is the molecular formula of 2-乙基-3-甲基戊腈?
The molecular formula of 2-乙基-3-甲基戊腈 is C8H15N.
What is the molecular weight of 2-乙基-3-甲基戊腈?
The molecular weight of 2-乙基-3-甲基戊腈 is 125.12 g/mol.
Where can I buy 2-乙基-3-甲基戊腈?
You can request a quote for 2-乙基-3-甲基戊腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙基-3-甲基戊腈?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基-3-甲基戊腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.