4-(Diisobutylamino)-1-butanol
TL;DR: 4-(Diisobutylamino)-1-butanol (CAS 70289-33-7) is a chemical compound with molecular formula C12H27NO and molecular weight 201.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-methylpropyl)amino]butan-1-ol
Also Known As: 4-(Diisobutylamino)-1-Butanol, 1-Butanol, 4-diisobutylamino-, 4-[bis(2-methylpropyl)amino]butan-1-ol, 1-Butanol, 4-diisobutylamino-,, N(CCCCO)(CC(C)C)CC(C)C
| Molecular Formula | C12H27NO |
|---|---|
| Molecular Weight | 201.21 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 201.20926 |
| Heavy Atoms | 14 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 70289-33-7 |
|---|---|
| SMILES | CC(C)CN(CCCCO)CC(C)C |
| InChIKey | CGMXEHSYBRPJJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Diisobutylamino)-1-butanol (CAS 70289-33-7), with molecular formula C12H27NO and molecular weight 201.21 g/mol. IUPAC: 4-[bis(2-methylpropyl)amino]butan-1-ol.
Chemical Property Profile of 4-(Diisobutylamino)-1-butanol
Property Insights of 4-(Diisobutylamino)-1-butanol
The XLogP value of 3.0 indicates that 4-(Diisobutylamino)-1-butanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 4-(Diisobutylamino)-1-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diisobutylamino)-1-butanol has 1 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 4-(Diisobutylamino)-1-butanol?
The CAS number of 4-(Diisobutylamino)-1-butanol is 70289-33-7.
What is the molecular formula of 4-(Diisobutylamino)-1-butanol?
The molecular formula of 4-(Diisobutylamino)-1-butanol is C12H27NO.
What is the molecular weight of 4-(Diisobutylamino)-1-butanol?
The molecular weight of 4-(Diisobutylamino)-1-butanol is 201.21 g/mol.
Where can I buy 4-(Diisobutylamino)-1-butanol?
You can request a quote for 4-(Diisobutylamino)-1-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Diisobutylamino)-1-butanol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diisobutylamino)-1-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.