RefChem:272788
TL;DR: RefChem:272788 (CAS 23462-18-2) is a chemical compound with molecular formula C21H42Cl3N3O4 and molecular weight 505.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)propyl]morpholine;trihydrate;trihydrochloride
Also Known As: 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(3-morpholinopropyl)-, hydrochloride, hydrate (1:3:3), 3-Benzyl-9-(3-morpholinopropyl)-3,9-diazabicyclo(3.3.1)nonane hydrochloride hydrate, 4-[3-(3-Benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)propyl]morpholinetrihydrate trihydrochloride, 3-Benzyl-9-[3-(morpholin-4-yl)propyl]-3,9-diazabicyclo[3.3.1]nonane--hydrogen chloride--water (1/3/3), 4-[3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)propyl]morpholine trihydrate trihydrochloride
| Molecular Formula | C21H42Cl3N3O4 |
|---|---|
| Molecular Weight | 505.22 g/mol |
| LogP | 1.24 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.2241 |
| Heavy Atoms | 31 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 23462-18-2 |
|---|---|
| SMILES | C1CC2CN(CC(C1)N2CCCN3CCOCC3)CC4=CC=CC=C4.O.O.O.Cl.Cl.Cl |
| InChIKey | ZTAJMMJBGABFBU-UHFFFAOYSA-N |
Product Overview
RefChem:272788 (CAS 23462-18-2), with molecular formula C21H42Cl3N3O4 and molecular weight 505.22 g/mol. IUPAC: 4-[3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)propyl]morpholine;trihydrate;trihydrochloride.
Chemical Property Profile of RefChem:272788
Property Insights of RefChem:272788
The XLogP value of 1.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:272788. With a topological polar surface area (TPSA) of 22.0 Ų, RefChem:272788 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272788 has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:272788?
The CAS number of RefChem:272788 is 23462-18-2.
What is the molecular formula of RefChem:272788?
The molecular formula of RefChem:272788 is C21H42Cl3N3O4.
What is the molecular weight of RefChem:272788?
The molecular weight of RefChem:272788 is 505.22 g/mol.
Where can I buy RefChem:272788?
You can request a quote for RefChem:272788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272788?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.