RefChem:272782
TL;DR: RefChem:272782 (CAS 23462-14-8) is a chemical compound with molecular formula C20H40Cl3N3O4 and molecular weight 491.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl]morpholine;trihydrate;trihydrochloride
Also Known As: 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-morpholinoethyl)-, hydrochloride, hydrate (1:3:3), 3-Benzyl-9-(2-morpholinoethyl)-3,9-diazabicyclo(3.3.1)nonane hydrochloride hydrate, 4-[2-(3-Benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl]morpholinetrihydrate trihydrochloride, 3-Benzyl-9-[2-(morpholin-4-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane--hydrogen chloride--water (1/3/3), 4-[2-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl]morpholine trihydrate trihydrochloride
| Molecular Formula | C20H40Cl3N3O4 |
|---|---|
| Molecular Weight | 491.21 g/mol |
| LogP | 0.85 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.20844 |
| Heavy Atoms | 30 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 23462-14-8 |
|---|---|
| SMILES | C1CC2CN(CC(C1)N2CCN3CCOCC3)CC4=CC=CC=C4.O.O.O.Cl.Cl.Cl |
| InChIKey | PTGXLHGHQPXKGN-UHFFFAOYSA-N |
Product Overview
RefChem:272782 (CAS 23462-14-8), with molecular formula C20H40Cl3N3O4 and molecular weight 491.21 g/mol. IUPAC: 4-[2-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl]morpholine;trihydrate;trihydrochloride.
Chemical Property Profile of RefChem:272782
Property Insights of RefChem:272782
The XLogP value of 0.85 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:272782. With a topological polar surface area (TPSA) of 22.0 Ų, RefChem:272782 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272782 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:272782?
The CAS number of RefChem:272782 is 23462-14-8.
What is the molecular formula of RefChem:272782?
The molecular formula of RefChem:272782 is C20H40Cl3N3O4.
What is the molecular weight of RefChem:272782?
The molecular weight of RefChem:272782 is 491.21 g/mol.
Where can I buy RefChem:272782?
You can request a quote for RefChem:272782 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272782?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272782 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.