1-Heptyn-3-ol, (3S)-
TL;DR: 1-Heptyn-3-ol, (3S)- (CAS 51703-66-3) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-hept-1-yn-3-ol
Also Known As: 1-Heptyn-3-ol, (3S)-, 1-Heptyn-3-ol, (-)-, 3-Hydroxy-1-heptyne, (3S)-, (S)-1-Heptyne-3-ol, (S)-(-)-Hept-1-yn-3-ol
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.1707 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 80.87784 |
Chemical Identifiers
| CAS Number | 51703-66-3 |
|---|---|
| SMILES | CCCC[C@@H](C#C)O |
Product Overview
1-Heptyn-3-ol, (3S)- (CAS 51703-66-3), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: (3S)-hept-1-yn-3-ol.
Chemical Property Profile of 1-Heptyn-3-ol, (3S)-
Property Insights of 1-Heptyn-3-ol, (3S)-
The XLogP value of 1.1707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Heptyn-3-ol, (3S)-. With a topological polar surface area (TPSA) of 20.23 Ų, 1-Heptyn-3-ol, (3S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Heptyn-3-ol, (3S)- 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 1-Heptyn-3-ol, (3S)-?
The CAS number of 1-Heptyn-3-ol, (3S)- is 51703-66-3.
What is the molecular formula of 1-Heptyn-3-ol, (3S)-?
The molecular formula of 1-Heptyn-3-ol, (3S)- is C7H12O.
What is the molecular weight of 1-Heptyn-3-ol, (3S)-?
The molecular weight of 1-Heptyn-3-ol, (3S)- is 112.09 g/mol.
Where can I buy 1-Heptyn-3-ol, (3S)-?
You can request a quote for 1-Heptyn-3-ol, (3S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Heptyn-3-ol, (3S)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Heptyn-3-ol, (3S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.