RefChem:272781
TL;DR: RefChem:272781 (CAS 23462-19-3) is a chemical compound with molecular formula C19H38Cl3N3O2 and molecular weight 445.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-N,N-dimethylpropan-1-amine;dihydrate;trihydrochloride
Also Known As: 3-Benzyl-9-(2-(dimethylamino)propyl)-3,9-diazabicyclo(3.3.1)nonane hydrochloride hydrate, 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-(dimethylamino)propyl)-, hydrochloride, hydrate (1:3:2), 3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-N,N-dimethylpropan-1-amine dihydrate trihydrochloride, 3,9-DIAZABICYCLO(3.3.1)NONANE, 3-BENZYL-9-(2-(DIMETHYLAMINO)PROPYL)-, HYDROCHLOR, 3-(3-Benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-N,N-dimethylpropan-1-amine--hydrogen chloride--water (1/3/2)
| Molecular Formula | C19H38Cl3N3O2 |
|---|---|
| Molecular Weight | 445.20 g/mol |
| LogP | 2.29 |
| Topological Polar Surface Area | 11.7 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.20297 |
| Heavy Atoms | 27 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 23462-19-3 |
|---|---|
| SMILES | CN(C)CCCN1C2CCCC1CN(C2)CC3=CC=CC=C3.O.O.Cl.Cl.Cl |
| InChIKey | FVQJSFRWGSPYGQ-UHFFFAOYSA-N |
Product Overview
RefChem:272781 (CAS 23462-19-3), with molecular formula C19H38Cl3N3O2 and molecular weight 445.20 g/mol. IUPAC: 3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-N,N-dimethylpropan-1-amine;dihydrate;trihydrochloride.
Chemical Property Profile of RefChem:272781
Property Insights of RefChem:272781
The XLogP value of 2.29 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:272781. With a topological polar surface area (TPSA) of 11.7 Ų, RefChem:272781 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272781 has 5 hydrogen bond donor(s) and 5 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:272781?
The CAS number of RefChem:272781 is 23462-19-3.
What is the molecular formula of RefChem:272781?
The molecular formula of RefChem:272781 is C19H38Cl3N3O2.
What is the molecular weight of RefChem:272781?
The molecular weight of RefChem:272781 is 445.20 g/mol.
Where can I buy RefChem:272781?
You can request a quote for RefChem:272781 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272781?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272781 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.