RefChem:272789
TL;DR: RefChem:272789 (CAS 23462-17-1) is a chemical compound with molecular formula C22H44Cl3N3O3 and molecular weight 503.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;trihydrate;trihydrochloride
Also Known As: 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(3-piperidinopropyl)-, hydrochloride, hydrate (1:3:3), 3-Benzyl-9-(3-piperidinopropyl)-3,9-diazabicyclo(3.3.1)nonane hydrochloride hydrate, 3-Benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonanetrihydrate trihydrochloride, 3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane trihydrate trihydrochloride, 3-Benzyl-9-[3-(piperidin-1-yl)propyl]-3,9-diazabicyclo[3.3.1]nonane--hydrogen chloride--water (1/3/3)
| Molecular Formula | C22H44Cl3N3O3 |
|---|---|
| Molecular Weight | 503.24 g/mol |
| LogP | 2.39 |
| Topological Polar Surface Area | 12.7 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 503.2448 |
| Heavy Atoms | 31 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 23462-17-1 |
|---|---|
| SMILES | C1CCN(CC1)CCCN2C3CCCC2CN(C3)CC4=CC=CC=C4.O.O.O.Cl.Cl.Cl |
| InChIKey | VSJFSGUPFLRNOP-UHFFFAOYSA-N |
Product Overview
RefChem:272789 (CAS 23462-17-1), with molecular formula C22H44Cl3N3O3 and molecular weight 503.24 g/mol. IUPAC: 3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;trihydrate;trihydrochloride.
Chemical Property Profile of RefChem:272789
Property Insights of RefChem:272789
The XLogP value of 2.39 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:272789. With a topological polar surface area (TPSA) of 12.7 Ų, RefChem:272789 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272789 has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:272789?
The CAS number of RefChem:272789 is 23462-17-1.
What is the molecular formula of RefChem:272789?
The molecular formula of RefChem:272789 is C22H44Cl3N3O3.
What is the molecular weight of RefChem:272789?
The molecular weight of RefChem:272789 is 503.24 g/mol.
Where can I buy RefChem:272789?
You can request a quote for RefChem:272789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272789?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.