2-Butyl-1,3-butanediol
TL;DR: 2-Butyl-1,3-butanediol (CAS 83988-22-1) 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-butylbutane-1,3-diol
Also Known As: 2-butylbutane-1,3-diol, 2-butyl-1,3-butanediol
| Molecular Formula | C8H18O2 |
|---|---|
| Molecular Weight | 146.13 g/mol |
| LogP | 1.1659 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.13068 |
| Heavy Atoms | 10 |
| Complexity | 71.657845 |
Chemical Identifiers
| CAS Number | 83988-22-1 |
|---|---|
| SMILES | CCCCC(CO)C(C)O |
Product Overview
2-Butyl-1,3-butanediol (CAS 83988-22-1), with molecular formula C8H18O2 and molecular weight 146.13 g/mol. IUPAC: 2-butylbutane-1,3-diol.
Chemical Property Profile of 2-Butyl-1,3-butanediol
Property Insights of 2-Butyl-1,3-butanediol
The XLogP value of 1.1659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyl-1,3-butanediol. With a topological polar surface area (TPSA) of 40.46 Ų, 2-Butyl-1,3-butanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-1,3-butanediol 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-Butyl-1,3-butanediol?
The CAS number of 2-Butyl-1,3-butanediol is 83988-22-1.
What is the molecular formula of 2-Butyl-1,3-butanediol?
The molecular formula of 2-Butyl-1,3-butanediol is C8H18O2.
What is the molecular weight of 2-Butyl-1,3-butanediol?
The molecular weight of 2-Butyl-1,3-butanediol is 146.13 g/mol.
Where can I buy 2-Butyl-1,3-butanediol?
You can request a quote for 2-Butyl-1,3-butanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyl-1,3-butanediol?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-1,3-butanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.