3-Heptyn-2-ol, 2-methyl-
TL;DR: 3-Heptyn-2-ol, 2-methyl- (CAS 763-19-9) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylhept-3-yn-2-ol
Also Known As: 2-Methyl-3-heptyn-2-ol, 3-Heptyn-2-ol, 2-methyl-, 2-methylhept-3-yn-2-ol, 2-Methyl-3-heptyn-2-ol #
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 763-19-9 |
|---|---|
| SMILES | CCCC#CC(C)(C)O |
| InChIKey | AWSIETBOWGIMBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Heptyn-2-ol, 2-methyl- (CAS 763-19-9), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 2-methylhept-3-yn-2-ol.
Chemical Property Profile of 3-Heptyn-2-ol, 2-methyl-
Property Insights of 3-Heptyn-2-ol, 2-methyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Heptyn-2-ol, 2-methyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Heptyn-2-ol, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptyn-2-ol, 2-methyl- 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-Heptyn-2-ol, 2-methyl-?
The CAS number of 3-Heptyn-2-ol, 2-methyl- is 763-19-9.
What is the molecular formula of 3-Heptyn-2-ol, 2-methyl-?
The molecular formula of 3-Heptyn-2-ol, 2-methyl- is C8H14O.
What is the molecular weight of 3-Heptyn-2-ol, 2-methyl-?
The molecular weight of 3-Heptyn-2-ol, 2-methyl- is 126.10 g/mol.
Where can I buy 3-Heptyn-2-ol, 2-methyl-?
You can request a quote for 3-Heptyn-2-ol, 2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Heptyn-2-ol, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptyn-2-ol, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.