C15H26N2O2.2ClH.1/2H2O
TL;DR: C15H26N2O2.2ClH.1/2H2O (CAS 87168-45-4) is a chemical compound with molecular formula C15H28Cl2N2O2 and molecular weight 338.15 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-pyrrolidin-1-ylpropanoate;dihydrochloride
Also Known As: C15H26N2O2.2ClH.1/2H2O, C15-H26-N2-O2.2Cl-H.1/2H2-O, exo-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl-1-pyrrolidinepropanoate dihydrochloride hydrate, 1-Pyrrolidinepropanoic acid, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, endo-, 1-Pyrrolidinepropanoic acid, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, hydrate, exo- (2:4:1)
| Molecular Formula | C15H28Cl2N2O2 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 2.4843 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.15277 |
| Heavy Atoms | 21 |
| Complexity | 323.6353 |
Chemical Identifiers
| CAS Number | 87168-45-4 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)CCN3CCCC3.Cl.Cl |
Product Overview
C15H26N2O2.2ClH.1/2H2O (CAS 87168-45-4), with molecular formula C15H28Cl2N2O2 and molecular weight 338.15 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate;dihydrochloride.
Chemical Property Profile of C15H26N2O2.2ClH.1/2H2O
Property Insights of C15H26N2O2.2ClH.1/2H2O
The XLogP value of 2.4843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C15H26N2O2.2ClH.1/2H2O. With a topological polar surface area (TPSA) of 32.78 Ų, C15H26N2O2.2ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C15H26N2O2.2ClH.1/2H2O 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 C15H26N2O2.2ClH.1/2H2O?
The CAS number of C15H26N2O2.2ClH.1/2H2O is 87168-45-4.
What is the molecular formula of C15H26N2O2.2ClH.1/2H2O?
The molecular formula of C15H26N2O2.2ClH.1/2H2O is C15H28Cl2N2O2.
What is the molecular weight of C15H26N2O2.2ClH.1/2H2O?
The molecular weight of C15H26N2O2.2ClH.1/2H2O is 338.15 g/mol.
Where can I buy C15H26N2O2.2ClH.1/2H2O?
You can request a quote for C15H26N2O2.2ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H26N2O2.2ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C15H26N2O2.2ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.