C15H27N3O2.3ClH.1/2H2O
TL;DR: C15H27N3O2.3ClH.1/2H2O (CAS 87168-50-1) is a chemical compound with molecular formula C16H32Cl3N3O2 and molecular weight 403.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-methyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]propanoic acid;trihydrochloride
Also Known As: C15H27N3O2.3ClH.1/2H2O, C15-H27-N3-O2.3Cl-H.1/2H2-O, endo-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl-1-piperazinepropanoate trihydrochloride hydrate, exo-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl-1-piperazinepropanoate trihydrochloride hydrate, 1-Piperazinepropanoic acid, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, trihydrochloridehydrate, endo-
| Molecular Formula | C16H32Cl3N3O2 |
|---|---|
| Molecular Weight | 403.16 g/mol |
| LogP | 2.2153 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.156 |
| Heavy Atoms | 24 |
| Complexity | 388.76392 |
Chemical Identifiers
| CAS Number | 87168-50-1 |
|---|---|
| SMILES | CN1CCN(CC1C2CC3CCC(C2)N3C)CCC(=O)O.Cl.Cl.Cl |
Product Overview
C15H27N3O2.3ClH.1/2H2O (CAS 87168-50-1), with molecular formula C16H32Cl3N3O2 and molecular weight 403.16 g/mol. IUPAC: 3-[4-methyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]propanoic acid;trihydrochloride.
Chemical Property Profile of C15H27N3O2.3ClH.1/2H2O
Property Insights of C15H27N3O2.3ClH.1/2H2O
The XLogP value of 2.2153 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C15H27N3O2.3ClH.1/2H2O. With a topological polar surface area (TPSA) of 47.02 Ų, C15H27N3O2.3ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C15H27N3O2.3ClH.1/2H2O has 1 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 C15H27N3O2.3ClH.1/2H2O?
The CAS number of C15H27N3O2.3ClH.1/2H2O is 87168-50-1.
What is the molecular formula of C15H27N3O2.3ClH.1/2H2O?
The molecular formula of C15H27N3O2.3ClH.1/2H2O is C16H32Cl3N3O2.
What is the molecular weight of C15H27N3O2.3ClH.1/2H2O?
The molecular weight of C15H27N3O2.3ClH.1/2H2O is 403.16 g/mol.
Where can I buy C15H27N3O2.3ClH.1/2H2O?
You can request a quote for C15H27N3O2.3ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H27N3O2.3ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C15H27N3O2.3ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.