2-Pentanol, 4-cyanoethoxy-2-methyl-
TL;DR: 2-Pentanol, 4-cyanoethoxy-2-methyl- (CAS 10141-15-8) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxy-4-methylpentan-2-yl)oxypropanenitrile
Also Known As: 4-Cyanoethoxy-2-methyl-2-pentanol, 2-Pentanol, 4-cyanoethoxy-2-methyl-, 3-(4-hydroxy-4-methylpentan-2-yl)oxypropanenitrile, 2-Pentanol,4-cyanoethoxy-2-methyl, 3-(3-Hydroxy-1,3-dimethylbutoxy)propanenitrile
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 10141-15-8 |
|---|---|
| SMILES | CC(CC(C)(C)O)OCCC#N |
| InChIKey | MYZYATBOEKPPPB-UHFFFAOYSA-N |
Product Overview
2-Pentanol, 4-cyanoethoxy-2-methyl- (CAS 10141-15-8), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: 3-(4-hydroxy-4-methylpentan-2-yl)oxypropanenitrile.
Chemical Property Profile of 2-Pentanol, 4-cyanoethoxy-2-methyl-
Property Insights of 2-Pentanol, 4-cyanoethoxy-2-methyl-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentanol, 4-cyanoethoxy-2-methyl-. With a topological polar surface area (TPSA) of 53.3 Ų, 2-Pentanol, 4-cyanoethoxy-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentanol, 4-cyanoethoxy-2-methyl- has 1 hydrogen bond donor(s) and 3 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 2-Pentanol, 4-cyanoethoxy-2-methyl-?
The CAS number of 2-Pentanol, 4-cyanoethoxy-2-methyl- is 10141-15-8.
What is the molecular formula of 2-Pentanol, 4-cyanoethoxy-2-methyl-?
The molecular formula of 2-Pentanol, 4-cyanoethoxy-2-methyl- is C9H17NO2.
What is the molecular weight of 2-Pentanol, 4-cyanoethoxy-2-methyl-?
The molecular weight of 2-Pentanol, 4-cyanoethoxy-2-methyl- is 171.13 g/mol.
Where can I buy 2-Pentanol, 4-cyanoethoxy-2-methyl-?
You can request a quote for 2-Pentanol, 4-cyanoethoxy-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentanol, 4-cyanoethoxy-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentanol, 4-cyanoethoxy-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.