1,3-Propanediol, 2-(1-methylbutyl)-
TL;DR: 1,3-Propanediol, 2-(1-methylbutyl)- (CAS 22131-29-9) 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-pentan-2-ylpropane-1,3-diol
Also Known As: 2-(pentan-2-yl)propane-1,3-diol, 2- -1,3-propanediol, 2-(1-Methylbutyl)-1,3-propanediol, 1,3-Propanediol, 2-(1-methylbutyl)-, 2-pentan-2-ylpropane-1,3-diol
| Molecular Formula | C8H18O2 |
|---|---|
| Molecular Weight | 146.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.13068 |
| Heavy Atoms | 10 |
| Complexity | 69.0 |
Chemical Identifiers
| CAS Number | 22131-29-9 |
|---|---|
| SMILES | CCCC(C)C(CO)CO |
| InChIKey | DIAKBGLNNAQLNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediol, 2-(1-methylbutyl)- (CAS 22131-29-9), with molecular formula C8H18O2 and molecular weight 146.13 g/mol. IUPAC: 2-pentan-2-ylpropane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-(1-methylbutyl)-
Property Insights of 1,3-Propanediol, 2-(1-methylbutyl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-(1-methylbutyl)-. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Propanediol, 2-(1-methylbutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-(1-methylbutyl)- 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-(1-methylbutyl)-?
The CAS number of 1,3-Propanediol, 2-(1-methylbutyl)- is 22131-29-9.
What is the molecular formula of 1,3-Propanediol, 2-(1-methylbutyl)-?
The molecular formula of 1,3-Propanediol, 2-(1-methylbutyl)- is C8H18O2.
What is the molecular weight of 1,3-Propanediol, 2-(1-methylbutyl)-?
The molecular weight of 1,3-Propanediol, 2-(1-methylbutyl)- is 146.13 g/mol.
Where can I buy 1,3-Propanediol, 2-(1-methylbutyl)-?
You can request a quote for 1,3-Propanediol, 2-(1-methylbutyl)- 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-(1-methylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-(1-methylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.