3-Heptyne-2,6-diol, 2-methyl-
TL;DR: 3-Heptyne-2,6-diol, 2-methyl- (CAS 18482-28-5) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylhept-3-yne-2,6-diol
Also Known As: 2-Methyl-3-heptyne-2,6-diol, 2-methylhept-3-yne-2,6-diol, 2-methyl-3-heptyn-2,6-diol, 2-methyl-hept-3-yne-2,6-diol, 3-HEPTYNE-2,6-DIOL, 2-METHYL-
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 18482-28-5 |
|---|---|
| SMILES | CC(CC#CC(C)(C)O)O |
| InChIKey | GJZNBRCVPFRBHO-UHFFFAOYSA-N |
Product Overview
3-Heptyne-2,6-diol, 2-methyl- (CAS 18482-28-5), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: 2-methylhept-3-yne-2,6-diol.
Chemical Property Profile of 3-Heptyne-2,6-diol, 2-methyl-
Property Insights of 3-Heptyne-2,6-diol, 2-methyl-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Heptyne-2,6-diol, 2-methyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Heptyne-2,6-diol, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptyne-2,6-diol, 2-methyl- has 2 hydrogen bond donor(s) and 2 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-Heptyne-2,6-diol, 2-methyl-?
The CAS number of 3-Heptyne-2,6-diol, 2-methyl- is 18482-28-5.
What is the molecular formula of 3-Heptyne-2,6-diol, 2-methyl-?
The molecular formula of 3-Heptyne-2,6-diol, 2-methyl- is C8H14O2.
What is the molecular weight of 3-Heptyne-2,6-diol, 2-methyl-?
The molecular weight of 3-Heptyne-2,6-diol, 2-methyl- is 142.10 g/mol.
Where can I buy 3-Heptyne-2,6-diol, 2-methyl-?
You can request a quote for 3-Heptyne-2,6-diol, 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-Heptyne-2,6-diol, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptyne-2,6-diol, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.