RefChem:272516
TL;DR: RefChem:272516 (CAS 120465-92-1) is a chemical compound with molecular formula C20H31BrN2O3S and molecular weight 458.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-bromo-2-methoxyphenyl)sulfonyl-7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
Also Known As: 3-((5-Bromo-2-methoxyphenyl)sulfonyl)-7-butyl-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane, 3,7-Diazabicyclo(3.3.1)nonane, 3-((5-bromo-2-methoxyphenyl)sulfonyl)-7-butyl-9,9-dimethyl-, 3-(5-bromo-2-methoxyphenyl)sulfonyl-7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane, 3-(5-Bromo-2-methoxybenzene-1-sulfonyl)-7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane, RefChem:272516
| Molecular Formula | C20H31BrN2O3S |
|---|---|
| Molecular Weight | 458.12 g/mol |
| LogP | 3.8363 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.12387 |
| Heavy Atoms | 27 |
| Complexity | 763.4315 |
Chemical Identifiers
| CAS Number | 120465-92-1 |
|---|---|
| SMILES | CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=C(C=CC(=C3)Br)OC |
Product Overview
RefChem:272516 (CAS 120465-92-1), with molecular formula C20H31BrN2O3S and molecular weight 458.12 g/mol. IUPAC: 3-(5-bromo-2-methoxyphenyl)sulfonyl-7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane.
Chemical Property Profile of RefChem:272516
Property Insights of RefChem:272516
The XLogP value of 3.8363 indicates that RefChem:272516 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, RefChem:272516 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272516 has 0 hydrogen bond donor(s) and 4 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:272516?
The CAS number of RefChem:272516 is 120465-92-1.
What is the molecular formula of RefChem:272516?
The molecular formula of RefChem:272516 is C20H31BrN2O3S.
What is the molecular weight of RefChem:272516?
The molecular weight of RefChem:272516 is 458.12 g/mol.
Where can I buy RefChem:272516?
You can request a quote for RefChem:272516 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272516?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272516 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.