RefChem:272778
TL;DR: RefChem:272778 (CAS 3527-45-5) is a chemical compound with molecular formula C13H30Cl3N3 and molecular weight 333.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine;trihydrochloride
Also Known As: 3,9-Diazabicyclo(3.3.1)nonane, 3-(3-(dimethylamino)propyl)-9-methyl-, trihydrochloride, 3-(3-(Dimethylamino)propyl)-9-methyl-3,9-diazabicyclo(3.3.1)nonane trihydrochloride, N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine trihydrochloride, N,N-Dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine--hydrogen chloride (1/3), RefChem:272778
| Molecular Formula | C13H30Cl3N3 |
|---|---|
| Molecular Weight | 333.15 g/mol |
| LogP | 2.37 |
| Topological Polar Surface Area | 9.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.15054 |
| Heavy Atoms | 19 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 3527-45-5 |
|---|---|
| SMILES | CN1C2CCCC1CN(C2)CCCN(C)C.Cl.Cl.Cl |
| InChIKey | XRPGXOSIPDRDEG-UHFFFAOYSA-N |
Product Overview
RefChem:272778 (CAS 3527-45-5), with molecular formula C13H30Cl3N3 and molecular weight 333.15 g/mol. IUPAC: N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine;trihydrochloride.
Chemical Property Profile of RefChem:272778
Property Insights of RefChem:272778
The XLogP value of 2.37 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:272778. With a topological polar surface area (TPSA) of 9.7 Ų, RefChem:272778 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272778 has 3 hydrogen bond donor(s) and 3 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:272778?
The CAS number of RefChem:272778 is 3527-45-5.
What is the molecular formula of RefChem:272778?
The molecular formula of RefChem:272778 is C13H30Cl3N3.
What is the molecular weight of RefChem:272778?
The molecular weight of RefChem:272778 is 333.15 g/mol.
Where can I buy RefChem:272778?
You can request a quote for RefChem:272778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272778?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.