3,3'-(Dodecylimino)bis(1,2-propanediol)
TL;DR: 3,3'-(Dodecylimino)bis(1,2-propanediol) (CAS 817-01-6) is a chemical compound with molecular formula C18H39NO4 and molecular weight 333.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,3-dihydroxypropyl(dodecyl)amino]propane-1,2-diol
Also Known As: 3,3'-(Dodecylimino)bispropane-1,2-diol, 3,3'-(dodecylimino)dipropane-1,2-diol, 3-[2,3-dihydroxypropyl(dodecyl)amino]propane-1,2-diol, Dodecylbis(2,3-dihydroxypropyl)amine, 3,3'-(Dodecylimino)bis(1,2-propanediol)
| Molecular Formula | C18H39NO4 |
|---|---|
| Molecular Weight | 333.29 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 333.2879 |
| Heavy Atoms | 23 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 817-01-6 |
|---|---|
| SMILES | CCCCCCCCCCCCN(CC(CO)O)CC(CO)O |
| InChIKey | MVKAHJLPJBMCFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-(Dodecylimino)bis(1,2-propanediol) (CAS 817-01-6), with molecular formula C18H39NO4 and molecular weight 333.29 g/mol. IUPAC: 3-[2,3-dihydroxypropyl(dodecyl)amino]propane-1,2-diol.
Chemical Property Profile of 3,3'-(Dodecylimino)bis(1,2-propanediol)
Property Insights of 3,3'-(Dodecylimino)bis(1,2-propanediol)
The XLogP value of 3.2 indicates that 3,3'-(Dodecylimino)bis(1,2-propanediol) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-(Dodecylimino)bis(1,2-propanediol). Following Lipinski's Rule of Five, 3,3'-(Dodecylimino)bis(1,2-propanediol) has 4 hydrogen bond donor(s) and 5 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 3,3'-(Dodecylimino)bis(1,2-propanediol)?
The CAS number of 3,3'-(Dodecylimino)bis(1,2-propanediol) is 817-01-6.
What is the molecular formula of 3,3'-(Dodecylimino)bis(1,2-propanediol)?
The molecular formula of 3,3'-(Dodecylimino)bis(1,2-propanediol) is C18H39NO4.
What is the molecular weight of 3,3'-(Dodecylimino)bis(1,2-propanediol)?
The molecular weight of 3,3'-(Dodecylimino)bis(1,2-propanediol) is 333.29 g/mol.
Where can I buy 3,3'-(Dodecylimino)bis(1,2-propanediol)?
You can request a quote for 3,3'-(Dodecylimino)bis(1,2-propanediol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(Dodecylimino)bis(1,2-propanediol)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(Dodecylimino)bis(1,2-propanediol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.