RefChem:272787
TL;DR: RefChem:272787 (CAS 23462-15-9) is a chemical compound with molecular formula C19H40Cl3N3O3 and molecular weight 463.21 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;trihydrate;trihydrochloride
Also Known As: 3-Benzyl-9-(3-(dimethylamino)propyl)-3,9-diazabicyclo(3.3.1)nonane hydrochloride hydrate, 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(3-(dimethylamino)propyl)-, hydrochloride, hydrate (1:3:3), 3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-N,N-dimethylpropan-1-amine trihydrate trihydrochloride, 3,9-DIAZABICYCLO(3.3.1)NONANE, 3-BENZYL-9-(3-(DIMETHYLAMINO)PROPYL)-, HYDROCHLOR, 3-(3-Benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-N,N-dimethylpropan-1-amine--hydrogen chloride--water (1/3/3)
| Molecular Formula | C19H40Cl3N3O3 |
|---|---|
| Molecular Weight | 463.21 g/mol |
| LogP | 1.47 |
| Topological Polar Surface Area | 12.7 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.21353 |
| Heavy Atoms | 28 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 23462-15-9 |
|---|---|
| SMILES | CN(C)CCCN1C2CCCC1CN(C2)CC3=CC=CC=C3.O.O.O.Cl.Cl.Cl |
| InChIKey | CRRAVHPNRRFAKA-UHFFFAOYSA-N |
Product Overview
RefChem:272787 (CAS 23462-15-9), with molecular formula C19H40Cl3N3O3 and molecular weight 463.21 g/mol. IUPAC: 3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-N,N-dimethylpropan-1-amine;trihydrate;trihydrochloride.
Chemical Property Profile of RefChem:272787
Property Insights of RefChem:272787
The XLogP value of 1.47 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:272787. With a topological polar surface area (TPSA) of 12.7 Ų, RefChem:272787 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272787 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:272787?
The CAS number of RefChem:272787 is 23462-15-9.
What is the molecular formula of RefChem:272787?
The molecular formula of RefChem:272787 is C19H40Cl3N3O3.
What is the molecular weight of RefChem:272787?
The molecular weight of RefChem:272787 is 463.21 g/mol.
Where can I buy RefChem:272787?
You can request a quote for RefChem:272787 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272787?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272787 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.