1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride
TL;DR: 1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride (CAS 41945-13-5) is a chemical compound with molecular formula C17H40Cl2N2O4 and molecular weight 406.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis[2-(diethylamino)ethoxymethyl]propane-1,3-diol;dihydrochloride
Also Known As: 1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride, 2,2-Bis((2-(diethylamino)ethoxy)methyl)-1,3-propanediol dihydrochloride, 1,3-Propanediol, 2,2-bis[[2-(diethylamino)ethoxy]methyl]-, dihydrochloride, 2,2-bis(2-diethylaminoethyloxymethyl)propane-1,3-diol dihydrochloride, 2,2-Bis{[2-(diethylamino)ethoxy]methyl}propane-1,3-diol--hydrogen chloride (1/2)
| Molecular Formula | C17H40Cl2N2O4 |
|---|---|
| Molecular Weight | 406.24 g/mol |
| LogP | 1.5178 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 406.2365 |
| Heavy Atoms | 25 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 41945-13-5 |
|---|---|
| SMILES | CCN(CC)CCOCC(CO)(CO)COCCN(CC)CC.Cl.Cl |
| InChIKey | YEJDBMNFPKRYLL-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride (CAS 41945-13-5), with molecular formula C17H40Cl2N2O4 and molecular weight 406.24 g/mol. IUPAC: 2,2-bis[2-(diethylamino)ethoxymethyl]propane-1,3-diol;dihydrochloride.
Chemical Property Profile of 1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride
Property Insights of 1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride
The XLogP value of 1.5178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride. Following Lipinski's Rule of Five, 1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride has 4 hydrogen bond donor(s) and 6 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 1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride?
The CAS number of 1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride is 41945-13-5.
What is the molecular formula of 1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride?
The molecular formula of 1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride is C17H40Cl2N2O4.
What is the molecular weight of 1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride?
The molecular weight of 1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride is 406.24 g/mol.
Where can I buy 1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride?
You can request a quote for 1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2,2-bis((2-(diethylamino)ethoxy)methyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.