1,3-Propanediol, 2-tert-butyl-2-methyl-
TL;DR: 1,3-Propanediol, 2-tert-butyl-2-methyl- (CAS 25462-45-7) is a chemical compound with molecular formula C8H18O2 and molecular weight 146.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-2-methylpropane-1,3-diol
Also Known As: 2-tert-Butyl-2-methyl-1,3-propanediol, 2-tert-butyl-2-methylpropane-1,3-diol, 1,3-Propanediol, 2-tert-butyl-2-methyl-, 2-tert-butyl-2-methyl-propane-1,3-diol, 2-(tert-butyl)-2-methylpropane-1,3-diol
| Molecular Formula | C8H18O2 |
|---|---|
| Molecular Weight | 146.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.13068 |
| Heavy Atoms | 10 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 25462-45-7 |
|---|---|
| SMILES | CC(C)(C)C(C)(CO)CO |
| InChIKey | UMBQWJHNUSDWMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediol, 2-tert-butyl-2-methyl- (CAS 25462-45-7), with molecular formula C8H18O2 and molecular weight 146.13 g/mol. IUPAC: 2-tert-butyl-2-methylpropane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-tert-butyl-2-methyl-
Property Insights of 1,3-Propanediol, 2-tert-butyl-2-methyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-tert-butyl-2-methyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Propanediol, 2-tert-butyl-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-tert-butyl-2-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 1,3-Propanediol, 2-tert-butyl-2-methyl-?
The CAS number of 1,3-Propanediol, 2-tert-butyl-2-methyl- is 25462-45-7.
What is the molecular formula of 1,3-Propanediol, 2-tert-butyl-2-methyl-?
The molecular formula of 1,3-Propanediol, 2-tert-butyl-2-methyl- is C8H18O2.
What is the molecular weight of 1,3-Propanediol, 2-tert-butyl-2-methyl-?
The molecular weight of 1,3-Propanediol, 2-tert-butyl-2-methyl- is 146.13 g/mol.
Where can I buy 1,3-Propanediol, 2-tert-butyl-2-methyl-?
You can request a quote for 1,3-Propanediol, 2-tert-butyl-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-Propanediol, 2-tert-butyl-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-tert-butyl-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.