3-(1,3-Dimethylbutoxy)-2-butanol
TL;DR: 3-(1,3-Dimethylbutoxy)-2-butanol (CAS 74810-45-0) is a chemical compound with molecular formula C10H22O2 and molecular weight 174.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylpentan-2-yloxy)butan-2-ol
Also Known As: 3-(1,3-Dimethylbutoxy)-2-butanol, 3-(4-methylpentan-2-yloxy)butan-2-ol, 2-Butanol, 3-(1,3-dimethylbutoxy)-, 3-(1,3-Dimethylbutoxy)-2-butanol #, 3-[(4-methylpentan-2-yl)oxy]butan-2-ol
| Molecular Formula | C10H22O2 |
|---|---|
| Molecular Weight | 174.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.16199 |
| Heavy Atoms | 12 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 74810-45-0 |
|---|---|
| SMILES | CC(C)CC(C)OC(C)C(C)O |
| InChIKey | JZJIEBREECLIGW-UHFFFAOYSA-N |
Product Overview
3-(1,3-Dimethylbutoxy)-2-butanol (CAS 74810-45-0), with molecular formula C10H22O2 and molecular weight 174.16 g/mol. IUPAC: 3-(4-methylpentan-2-yloxy)butan-2-ol.
Chemical Property Profile of 3-(1,3-Dimethylbutoxy)-2-butanol
Property Insights of 3-(1,3-Dimethylbutoxy)-2-butanol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Dimethylbutoxy)-2-butanol. With a topological polar surface area (TPSA) of 29.5 Ų, 3-(1,3-Dimethylbutoxy)-2-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Dimethylbutoxy)-2-butanol has 1 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-(1,3-Dimethylbutoxy)-2-butanol?
The CAS number of 3-(1,3-Dimethylbutoxy)-2-butanol is 74810-45-0.
What is the molecular formula of 3-(1,3-Dimethylbutoxy)-2-butanol?
The molecular formula of 3-(1,3-Dimethylbutoxy)-2-butanol is C10H22O2.
What is the molecular weight of 3-(1,3-Dimethylbutoxy)-2-butanol?
The molecular weight of 3-(1,3-Dimethylbutoxy)-2-butanol is 174.16 g/mol.
Where can I buy 3-(1,3-Dimethylbutoxy)-2-butanol?
You can request a quote for 3-(1,3-Dimethylbutoxy)-2-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Dimethylbutoxy)-2-butanol?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Dimethylbutoxy)-2-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.