5-Butyl-5-nonanol
TL;DR: 5-Butyl-5-nonanol (CAS 597-93-3) is a chemical compound with molecular formula CCCCC(CCCC)(CCCC)O and molecular weight 200.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butylnonan-5-ol
Also Known As: Tributylcarbinol, 5-butylnonan-5-ol, 5-Butyl-5-nonanol, Tributylmethanol, 5-Nonanol, 5-butyl-
| Molecular Formula | CCCCC(CCCC)(CCCC)O |
|---|---|
| Molecular Weight | 200.21 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 200.21402 |
| Heavy Atoms | 14 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 597-93-3 |
|---|---|
| SMILES | CCCCC(CCCC)(CCCC)O |
| InChIKey | RWKMYNWNESNJQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Butyl-5-nonanol (CAS 597-93-3), with molecular formula CCCCC(CCCC)(CCCC)O and molecular weight 200.21 g/mol. IUPAC: 5-butylnonan-5-ol.
Chemical Property Profile of 5-Butyl-5-nonanol
Property Insights of 5-Butyl-5-nonanol
The XLogP value of 4.8 indicates that 5-Butyl-5-nonanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 5-Butyl-5-nonanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butyl-5-nonanol has 1 hydrogen bond donor(s) and 1 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 5-Butyl-5-nonanol?
The CAS number of 5-Butyl-5-nonanol is 597-93-3.
What is the molecular formula of 5-Butyl-5-nonanol?
The molecular formula of 5-Butyl-5-nonanol is CCCCC(CCCC)(CCCC)O.
What is the molecular weight of 5-Butyl-5-nonanol?
The molecular weight of 5-Butyl-5-nonanol is 200.21 g/mol.
Where can I buy 5-Butyl-5-nonanol?
You can request a quote for 5-Butyl-5-nonanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Butyl-5-nonanol?
Yes, KEHONG BIO provides custom synthesis services for 5-Butyl-5-nonanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.