RefChem:272785
TL;DR: RefChem:272785 (CAS 23462-20-6) is a chemical compound with molecular formula C22H40Cl3N3O and molecular weight 467.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-9-(2-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrate;trihydrochloride
Also Known As: 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinopropyl)-, trihydrochloride, hydrate, 3-Benzyl-9-(2-piperidinopropyl)-3,9-diazabicyclo(3.3.1)nonane trihydrochloride hydrate, 3-Benzyl-9-(2-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonanehydrate trihydrochloride, 3-benzyl-9-(2-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane hydrate trihydrochloride, 3-Benzyl-9-[2-(piperidin-1-yl)propyl]-3,9-diazabicyclo[3.3.1]nonane--hydrogen chloride--water (1/3/1)
| Molecular Formula | C22H40Cl3N3O |
|---|---|
| Molecular Weight | 467.22 g/mol |
| LogP | 4.04 |
| Topological Polar Surface Area | 10.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.2237 |
| Heavy Atoms | 29 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 23462-20-6 |
|---|---|
| SMILES | CC(CN1C2CCCC1CN(C2)CC3=CC=CC=C3)N4CCCCC4.O.Cl.Cl.Cl |
| InChIKey | SPHQEWVHHACEJM-UHFFFAOYSA-N |
Product Overview
RefChem:272785 (CAS 23462-20-6), with molecular formula C22H40Cl3N3O and molecular weight 467.22 g/mol. IUPAC: 3-benzyl-9-(2-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrate;trihydrochloride.
Chemical Property Profile of RefChem:272785
Property Insights of RefChem:272785
The XLogP value of 4.04 indicates that RefChem:272785 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 10.7 Ų, RefChem:272785 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272785 has 4 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 RefChem:272785?
The CAS number of RefChem:272785 is 23462-20-6.
What is the molecular formula of RefChem:272785?
The molecular formula of RefChem:272785 is C22H40Cl3N3O.
What is the molecular weight of RefChem:272785?
The molecular weight of RefChem:272785 is 467.22 g/mol.
Where can I buy RefChem:272785?
You can request a quote for RefChem:272785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272785?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.