beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo-
TL;DR: beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo- (CAS 87168-43-2) is a chemical compound with molecular formula C15H30Cl2N2O2 and molecular weight 340.17 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-(diethylamino)propanoate;dihydrochloride
Also Known As: beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo-, beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, endo-, endo-N,N-Diethyl-beta-alanine 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester dihydrochloride, exo-N,N-Diethyl-beta-alanine 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester dihydrochloride, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(diethylamino)propanoate;dihydrochloride
| Molecular Formula | C15H30Cl2N2O2 |
|---|---|
| Molecular Weight | 340.17 g/mol |
| LogP | 2.7303 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.16843 |
| Heavy Atoms | 21 |
| Complexity | 300.04874 |
Chemical Identifiers
| CAS Number | 87168-43-2 |
|---|---|
| SMILES | CCN(CC)CCC(=O)OC1CC2CCC(C1)N2C.Cl.Cl |
Product Overview
beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo- (CAS 87168-43-2), with molecular formula C15H30Cl2N2O2 and molecular weight 340.17 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(diethylamino)propanoate;dihydrochloride.
Chemical Property Profile of beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo-
Property Insights of beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo-
The XLogP value of 2.7303 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo-. With a topological polar surface area (TPSA) of 32.78 Ų, beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo- 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 beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo-?
The CAS number of beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo- is 87168-43-2.
What is the molecular formula of beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo-?
The molecular formula of beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo- is C15H30Cl2N2O2.
What is the molecular weight of beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo-?
The molecular weight of beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo- is 340.17 g/mol.
Where can I buy beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo-?
You can request a quote for beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo-?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N,N-diethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.