4-(Dimethylamino)butane-1,3-diol
TL;DR: 4-(Dimethylamino)butane-1,3-diol (CAS 78879-70-6) is a chemical compound with molecular formula C6H15NO2 and molecular weight 133.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)butane-1,3-diol
Also Known As: 4-(dimethylamino)butane-1,3-diol, 1,3-Butanediol,4-(dimethylamino)-, (+-)-4-Dimethylamino-butandiol-(1,3)
| Molecular Formula | C6H15NO2 |
|---|---|
| Molecular Weight | 133.11 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 133.11028 |
| Heavy Atoms | 9 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 78879-70-6 |
|---|---|
| SMILES | CN(C)CC(CCO)O |
| InChIKey | VGFVWMRUCOXJCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Dimethylamino)butane-1,3-diol (CAS 78879-70-6), with molecular formula C6H15NO2 and molecular weight 133.11 g/mol. IUPAC: 4-(dimethylamino)butane-1,3-diol.
Chemical Property Profile of 4-(Dimethylamino)butane-1,3-diol
Property Insights of 4-(Dimethylamino)butane-1,3-diol
The XLogP value of -0.7 indicates that 4-(Dimethylamino)butane-1,3-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.7 Ų, 4-(Dimethylamino)butane-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dimethylamino)butane-1,3-diol 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 4-(Dimethylamino)butane-1,3-diol?
The CAS number of 4-(Dimethylamino)butane-1,3-diol is 78879-70-6.
What is the molecular formula of 4-(Dimethylamino)butane-1,3-diol?
The molecular formula of 4-(Dimethylamino)butane-1,3-diol is C6H15NO2.
What is the molecular weight of 4-(Dimethylamino)butane-1,3-diol?
The molecular weight of 4-(Dimethylamino)butane-1,3-diol is 133.11 g/mol.
Where can I buy 4-(Dimethylamino)butane-1,3-diol?
You can request a quote for 4-(Dimethylamino)butane-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dimethylamino)butane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylamino)butane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.