3-甲基-1-戊醇
TL;DR: 3-甲基-1-戊醇 (CAS 589-35-5) 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.
3-甲基-1-戊醇
3-methylpentan-1-ol
Also Known As: 3-Methylpentan-1-ol, 3-METHYL-1-PENTANOL, 3-Methylpentanol, 2-Ethyl-4-butanol, 3-Ethyl-1-butanol
| Molecular Formula | C6H14O |
|---|---|
| Molecular Weight | 102.10 g/mol |
| LogP | 1.8 |
| 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 | 35.0 |
| Boiling Point | 151.00 to 152.00 °C. @ 760.00 mm Hg |
| Density | 0.823 |
| Refractive Index | 1.418 |
Chemical Identifiers
| CAS Number | 589-35-5 |
|---|---|
| SMILES | CCC(C)CCO |
| InChIKey | IWTBVKIGCDZRPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-1-戊醇 (CAS 589-35-5), with molecular formula C6H14O and molecular weight 102.10 g/mol. IUPAC: 3-methylpentan-1-ol.
Chemical Property Profile of 3-甲基-1-戊醇
Property Insights of 3-甲基-1-戊醇
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基-1-戊醇. With a topological polar surface area (TPSA) of 20.2 Ų, 3-甲基-1-戊醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-甲基-1-戊醇?
The CAS number of 3-甲基-1-戊醇 is 589-35-5.
What is the molecular formula of 3-甲基-1-戊醇?
The molecular formula of 3-甲基-1-戊醇 is C6H14O.
What is the molecular weight of 3-甲基-1-戊醇?
The molecular weight of 3-甲基-1-戊醇 is 102.10 g/mol.
Where can I buy 3-甲基-1-戊醇?
You can request a quote for 3-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 3-甲基-1-戊醇?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-1-戊醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.