2,2-Diisobutyl-1,3-propanediol
TL;DR: 2,2-Diisobutyl-1,3-propanediol (CAS 10547-96-3) is a chemical compound with molecular formula C11H24O2 and molecular weight 188.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(2-methylpropyl)propane-1,3-diol
Also Known As: 2,2-Diisobutyl-1,3-propanediol, 2,2-Dihydroxy-2,2-diisobutylpropane, 2,2-Diisobutylpropane-1,3-diol, 2,2-bis(2-methylpropyl)propane-1,3-diol, di-i-butyl-propane-1,3-diol
| Molecular Formula | C11H24O2 |
|---|---|
| Molecular Weight | 188.18 g/mol |
| LogP | 2.0496 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.17763 |
| Heavy Atoms | 13 |
| Complexity | 114.05197 |
Chemical Identifiers
| CAS Number | 10547-96-3 |
|---|---|
| SMILES | CC(C)CC(CC(C)C)(CO)CO |
Product Overview
2,2-Diisobutyl-1,3-propanediol (CAS 10547-96-3), with molecular formula C11H24O2 and molecular weight 188.18 g/mol. IUPAC: 2,2-bis(2-methylpropyl)propane-1,3-diol.
Chemical Property Profile of 2,2-Diisobutyl-1,3-propanediol
Property Insights of 2,2-Diisobutyl-1,3-propanediol
The XLogP value of 2.0496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Diisobutyl-1,3-propanediol. With a topological polar surface area (TPSA) of 40.46 Ų, 2,2-Diisobutyl-1,3-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Diisobutyl-1,3-propanediol 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 2,2-Diisobutyl-1,3-propanediol?
The CAS number of 2,2-Diisobutyl-1,3-propanediol is 10547-96-3.
What is the molecular formula of 2,2-Diisobutyl-1,3-propanediol?
The molecular formula of 2,2-Diisobutyl-1,3-propanediol is C11H24O2.
What is the molecular weight of 2,2-Diisobutyl-1,3-propanediol?
The molecular weight of 2,2-Diisobutyl-1,3-propanediol is 188.18 g/mol.
Where can I buy 2,2-Diisobutyl-1,3-propanediol?
You can request a quote for 2,2-Diisobutyl-1,3-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diisobutyl-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diisobutyl-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.