RefChem:272522
TL;DR: RefChem:272522 (CAS 120465-77-2) is a chemical compound with molecular formula C19H29Cl3N2O2S and molecular weight 454.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-7-(3,5-dichlorophenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane;hydrochloride
Also Known As: 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-7-((3,5-dichlorophenyl)sulfonyl)-9,9-dimethyl-, monohydrochloride, 7-butyl-3-(3,5-dichlorophenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane Hydrochloride, 3-Butyl-7-(3,5-dichlorobenzene-1-sulfonyl)-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane--hydrogen chloride (1/1), RefChem:272522
| Molecular Formula | C19H29Cl3N2O2S |
|---|---|
| Molecular Weight | 454.10 g/mol |
| LogP | 4.7938 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.10153 |
| Heavy Atoms | 27 |
| Complexity | 731.9683 |
Chemical Identifiers
| CAS Number | 120465-77-2 |
|---|---|
| SMILES | CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl.Cl |
Product Overview
RefChem:272522 (CAS 120465-77-2), with molecular formula C19H29Cl3N2O2S and molecular weight 454.10 g/mol. IUPAC: 3-butyl-7-(3,5-dichlorophenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane;hydrochloride.
Chemical Property Profile of RefChem:272522
Property Insights of RefChem:272522
The XLogP value of 4.7938 indicates that RefChem:272522 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, RefChem:272522 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272522 has 0 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:272522?
The CAS number of RefChem:272522 is 120465-77-2.
What is the molecular formula of RefChem:272522?
The molecular formula of RefChem:272522 is C19H29Cl3N2O2S.
What is the molecular weight of RefChem:272522?
The molecular weight of RefChem:272522 is 454.10 g/mol.
Where can I buy RefChem:272522?
You can request a quote for RefChem:272522 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272522?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272522 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.