3-dimethylaminopropanoatedihydrochloride
TL;DR: 3-dimethylaminopropanoatedihydrochloride (CAS 87168-41-0) is a chemical compound with molecular formula C13H26Cl2N2O2 and molecular weight 312.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(dimethylamino)propanoate;dihydrochloride
Also Known As: 3-dimethylaminopropanoatedihydrochloride, beta-Alanine, N,N-dimethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo-, 2-chloro-N-[4-(difluoromethoxy)phenyl]propanamide, endo-N,N-Dimethyl-beta-alanine 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester 2HCl hydrate, exo-N,N-Dimethyl-beta-alanine 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester dihydrochloride
| Molecular Formula | C13H26Cl2N2O2 |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | 1.9501 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.13715 |
| Heavy Atoms | 19 |
| Complexity | 275.81677 |
Chemical Identifiers
| CAS Number | 87168-41-0 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)CCN(C)C.Cl.Cl |
Product Overview
3-dimethylaminopropanoatedihydrochloride (CAS 87168-41-0), with molecular formula C13H26Cl2N2O2 and molecular weight 312.14 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(dimethylamino)propanoate;dihydrochloride.
Chemical Property Profile of 3-dimethylaminopropanoatedihydrochloride
Property Insights of 3-dimethylaminopropanoatedihydrochloride
The XLogP value of 1.9501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-dimethylaminopropanoatedihydrochloride. With a topological polar surface area (TPSA) of 32.78 Ų, 3-dimethylaminopropanoatedihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-dimethylaminopropanoatedihydrochloride has 0 hydrogen bond donor(s) and 4 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-dimethylaminopropanoatedihydrochloride?
The CAS number of 3-dimethylaminopropanoatedihydrochloride is 87168-41-0.
What is the molecular formula of 3-dimethylaminopropanoatedihydrochloride?
The molecular formula of 3-dimethylaminopropanoatedihydrochloride is C13H26Cl2N2O2.
What is the molecular weight of 3-dimethylaminopropanoatedihydrochloride?
The molecular weight of 3-dimethylaminopropanoatedihydrochloride is 312.14 g/mol.
Where can I buy 3-dimethylaminopropanoatedihydrochloride?
You can request a quote for 3-dimethylaminopropanoatedihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-dimethylaminopropanoatedihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-dimethylaminopropanoatedihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.