4-甲基-1-戊醇
TL;DR: 4-甲基-1-戊醇 (CAS 626-89-1) is a chemical compound with molecular formula C6H14O and molecular weight 102.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基-1-戊醇
4-methylpentan-1-ol
Also Known As: 4-Methylpentan-1-ol, 4-METHYL-1-PENTANOL, Isohexanol, 4-Methylpentanol, Isohexyl alcohol
| Molecular Formula | C6H14O |
|---|---|
| Molecular Weight | 102.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 102.10446 |
| Heavy Atoms | 7 |
| Complexity | 33.0 |
| Vapor Pressure | 1.7 [mmHg] |
Chemical Identifiers
| CAS Number | 626-89-1 |
|---|---|
| SMILES | CC(C)CCCO |
| InChIKey | PCWGTDULNUVNBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基-1-戊醇 (CAS 626-89-1), with molecular formula C6H14O and molecular weight 102.10 g/mol. IUPAC: 4-methylpentan-1-ol.
Chemical Property Profile of 4-甲基-1-戊醇
Property Insights of 4-甲基-1-戊醇
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基-1-戊醇. With a topological polar surface area (TPSA) of 20.2 Ų, 4-甲基-1-戊醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基-1-戊醇 has 1 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 4-甲基-1-戊醇?
The CAS number of 4-甲基-1-戊醇 is 626-89-1.
What is the molecular formula of 4-甲基-1-戊醇?
The molecular formula of 4-甲基-1-戊醇 is C6H14O.
What is the molecular weight of 4-甲基-1-戊醇?
The molecular weight of 4-甲基-1-戊醇 is 102.10 g/mol.
Where can I buy 4-甲基-1-戊醇?
You can request a quote for 4-甲基-1-戊醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基-1-戊醇?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-1-戊醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.