1,3-Dioxolane-2-butanol, 2-methyl-
TL;DR: 1,3-Dioxolane-2-butanol, 2-methyl- (CAS 5745-75-5) is a chemical compound with molecular formula C8H16O3 and molecular weight 160.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methyl-1,3-dioxolan-2-yl)butan-1-ol
Also Known As: 1,3-Dioxolane-2-butanol, 2-methyl-, 6-Hydroxy-2-hexanone ethyleneketal, 6-hydroxy-2-hexanone ethylene ketal, 4-(2-methyl-1,3-dioxolan-2-yl)butan-1-ol, 2-Methyl-1,3-dioxolane-2-(1-butanol)
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 5745-75-5 |
|---|---|
| SMILES | CC1(OCCO1)CCCCO |
| InChIKey | LGRQYAIQTHIDNW-UHFFFAOYSA-N |
Product Overview
1,3-Dioxolane-2-butanol, 2-methyl- (CAS 5745-75-5), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: 4-(2-methyl-1,3-dioxolan-2-yl)butan-1-ol.
Chemical Property Profile of 1,3-Dioxolane-2-butanol, 2-methyl-
Property Insights of 1,3-Dioxolane-2-butanol, 2-methyl-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxolane-2-butanol, 2-methyl-. With a topological polar surface area (TPSA) of 38.7 Ų, 1,3-Dioxolane-2-butanol, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolane-2-butanol, 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 1,3-Dioxolane-2-butanol, 2-methyl-?
The CAS number of 1,3-Dioxolane-2-butanol, 2-methyl- is 5745-75-5.
What is the molecular formula of 1,3-Dioxolane-2-butanol, 2-methyl-?
The molecular formula of 1,3-Dioxolane-2-butanol, 2-methyl- is C8H16O3.
What is the molecular weight of 1,3-Dioxolane-2-butanol, 2-methyl-?
The molecular weight of 1,3-Dioxolane-2-butanol, 2-methyl- is 160.11 g/mol.
Where can I buy 1,3-Dioxolane-2-butanol, 2-methyl-?
You can request a quote for 1,3-Dioxolane-2-butanol, 2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolane-2-butanol, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolane-2-butanol, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.