RefChem:272520
TL;DR: RefChem:272520 (CAS 120465-69-2) is a chemical compound with molecular formula C21H34N2O4S and molecular weight 410.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-7-(2,5-dimethoxyphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
Also Known As: 3-Butyl-7-((2,5-dimethoxyphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane, 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-7-((2,5-dimethoxyphenyl)sulfonyl)-9,9-dimethyl-, 3-Butyl-7-(2,5-dimethoxybenzene-1-sulfonyl)-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane, 7-butyl-3-(2,5-dimethoxyphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane, RefChem:272520
| Molecular Formula | C21H34N2O4S |
|---|---|
| Molecular Weight | 410.22 g/mol |
| LogP | 3.0824 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.22394 |
| Heavy Atoms | 28 |
| Complexity | 775.59534 |
Chemical Identifiers
| CAS Number | 120465-69-2 |
|---|---|
| SMILES | CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=C(C=CC(=C3)OC)OC |
Product Overview
RefChem:272520 (CAS 120465-69-2), with molecular formula C21H34N2O4S and molecular weight 410.22 g/mol. IUPAC: 3-butyl-7-(2,5-dimethoxyphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane.
Chemical Property Profile of RefChem:272520
Property Insights of RefChem:272520
The XLogP value of 3.0824 indicates that RefChem:272520 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, RefChem:272520 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272520 has 0 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:272520?
The CAS number of RefChem:272520 is 120465-69-2.
What is the molecular formula of RefChem:272520?
The molecular formula of RefChem:272520 is C21H34N2O4S.
What is the molecular weight of RefChem:272520?
The molecular weight of RefChem:272520 is 410.22 g/mol.
Where can I buy RefChem:272520?
You can request a quote for RefChem:272520 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272520?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272520 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.