1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl-
TL;DR: 1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl- (CAS 25451-07-4) is a chemical compound with molecular formula C9H21NO2 and molecular weight 175.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(dimethylamino)methyl]-2-propylpropane-1,3-diol
Also Known As: 2-Propyl-2-diethylaminomethyl-1,3-propanediol, 2-(Dimethylaminomethyl)-2-propyl-1,3-propanediol, 2-[methyl]-2-propyl-1,3-propanediol, 1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl-, 2-[ methyl]-2-propyl-1,3-propanediol
| Molecular Formula | C9H21NO2 |
|---|---|
| Molecular Weight | 175.16 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 175.15723 |
| Heavy Atoms | 12 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 25451-07-4 |
|---|---|
| SMILES | CCCC(CN(C)C)(CO)CO |
| InChIKey | FGNBZUSQEHJNQG-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl- (CAS 25451-07-4), with molecular formula C9H21NO2 and molecular weight 175.16 g/mol. IUPAC: 2-[(dimethylamino)methyl]-2-propylpropane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl-
Property Insights of 1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl-. With a topological polar surface area (TPSA) of 43.7 Ų, 1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl- 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 1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl-?
The CAS number of 1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl- is 25451-07-4.
What is the molecular formula of 1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl-?
The molecular formula of 1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl- is C9H21NO2.
What is the molecular weight of 1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl-?
The molecular weight of 1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl- is 175.16 g/mol.
Where can I buy 1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl-?
You can request a quote for 1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl- 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-(dimethylaminomethyl)-2-propyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.