2-(2-Hydroxybutoxy)butan-1-ol
TL;DR: 2-(2-Hydroxybutoxy)butan-1-ol (CAS 98072-12-9) is a chemical compound with molecular formula C8H18O3 and molecular weight 162.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxybutoxy)butan-1-ol
Also Known As: 2-(2-Hydroxybutoxy)butan-1-ol, 2-(2-Hydroxybutoxy)-1-butanol, 1-Butanol,2-(2-hydroxybutoxy)-, 2-(2-Hydroxybutoxy)butan-1-ol, , CID113427, 98072-12-9, EINECS 308-461-2
| Molecular Formula | C8H18O3 |
|---|---|
| Molecular Weight | 162.13 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 162.1256 |
| Heavy Atoms | 11 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 98072-12-9 |
|---|---|
| SMILES | CCC(CO)OCC(CC)O |
| InChIKey | MVEWAQOGSDLLAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Hydroxybutoxy)butan-1-ol (CAS 98072-12-9), with molecular formula C8H18O3 and molecular weight 162.13 g/mol. IUPAC: 2-(2-hydroxybutoxy)butan-1-ol.
Chemical Property Profile of 2-(2-Hydroxybutoxy)butan-1-ol
Property Insights of 2-(2-Hydroxybutoxy)butan-1-ol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Hydroxybutoxy)butan-1-ol. With a topological polar surface area (TPSA) of 49.7 Ų, 2-(2-Hydroxybutoxy)butan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Hydroxybutoxy)butan-1-ol has 2 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 2-(2-Hydroxybutoxy)butan-1-ol?
The CAS number of 2-(2-Hydroxybutoxy)butan-1-ol is 98072-12-9.
What is the molecular formula of 2-(2-Hydroxybutoxy)butan-1-ol?
The molecular formula of 2-(2-Hydroxybutoxy)butan-1-ol is C8H18O3.
What is the molecular weight of 2-(2-Hydroxybutoxy)butan-1-ol?
The molecular weight of 2-(2-Hydroxybutoxy)butan-1-ol is 162.13 g/mol.
Where can I buy 2-(2-Hydroxybutoxy)butan-1-ol?
You can request a quote for 2-(2-Hydroxybutoxy)butan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Hydroxybutoxy)butan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Hydroxybutoxy)butan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.