3-Nonyne-1,5-diol, 5-ethyl-7-methyl-
TL;DR: 3-Nonyne-1,5-diol, 5-ethyl-7-methyl- (CAS 94849-63-5) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-7-methylnon-3-yne-1,5-diol
Also Known As: 3-Methyl-5-ethyl-6-nonyn-5,9-diol, 5-Ethyl-7-methyl-3-nonyne-1,5-diol, 5-ethyl-7-methylnon-3-yne-1,5-diol, 3-NONYNE-1,5-DIOL, 5-ETHYL-7-METHYL-, RefChem:1068359
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 94849-63-5 |
|---|---|
| SMILES | CCC(C)CC(CC)(C#CCCO)O |
| InChIKey | VSSFHUMHSIBAAM-UHFFFAOYSA-N |
Product Overview
3-Nonyne-1,5-diol, 5-ethyl-7-methyl- (CAS 94849-63-5), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 5-ethyl-7-methylnon-3-yne-1,5-diol.
Chemical Property Profile of 3-Nonyne-1,5-diol, 5-ethyl-7-methyl-
Property Insights of 3-Nonyne-1,5-diol, 5-ethyl-7-methyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nonyne-1,5-diol, 5-ethyl-7-methyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Nonyne-1,5-diol, 5-ethyl-7-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nonyne-1,5-diol, 5-ethyl-7-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-Nonyne-1,5-diol, 5-ethyl-7-methyl-?
The CAS number of 3-Nonyne-1,5-diol, 5-ethyl-7-methyl- is 94849-63-5.
What is the molecular formula of 3-Nonyne-1,5-diol, 5-ethyl-7-methyl-?
The molecular formula of 3-Nonyne-1,5-diol, 5-ethyl-7-methyl- is C12H22O2.
What is the molecular weight of 3-Nonyne-1,5-diol, 5-ethyl-7-methyl-?
The molecular weight of 3-Nonyne-1,5-diol, 5-ethyl-7-methyl- is 198.16 g/mol.
Where can I buy 3-Nonyne-1,5-diol, 5-ethyl-7-methyl-?
You can request a quote for 3-Nonyne-1,5-diol, 5-ethyl-7-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nonyne-1,5-diol, 5-ethyl-7-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Nonyne-1,5-diol, 5-ethyl-7-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.