甲戊炔醇
TL;DR: 甲戊炔醇 (CAS 77-75-8) is a chemical compound with molecular formula C6H10O and molecular weight 98.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲戊炔醇
3-methylpent-1-yn-3-ol
Also Known As: 3-Methyl-1-pentyn-3-ol, Meparfynol, Methylpentynol, Methylparafynol, Atemorin
| Molecular Formula | C6H10O |
|---|---|
| Molecular Weight | 98.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 98.073166 |
| Heavy Atoms | 7 |
| Complexity | 98.0 |
| Vapor Pressure | 5.25 [mmHg] |
Chemical Identifiers
| CAS Number | 77-75-8 |
|---|---|
| SMILES | CCC(C)(C#C)O |
| InChIKey | QXLPXWSKPNOQLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲戊炔醇 (CAS 77-75-8), with molecular formula C6H10O and molecular weight 98.07 g/mol. IUPAC: 3-methylpent-1-yn-3-ol.
Chemical Property Profile of 甲戊炔醇
Property Insights of 甲戊炔醇
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲戊炔醇. With a topological polar surface area (TPSA) of 20.2 Ų, 甲戊炔醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲戊炔醇 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 甲戊炔醇?
The CAS number of 甲戊炔醇 is 77-75-8.
What is the molecular formula of 甲戊炔醇?
The molecular formula of 甲戊炔醇 is C6H10O.
What is the molecular weight of 甲戊炔醇?
The molecular weight of 甲戊炔醇 is 98.07 g/mol.
Where can I buy 甲戊炔醇?
You can request a quote for 甲戊炔醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲戊炔醇?
Yes, KEHONG BIO provides custom synthesis services for 甲戊炔醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.