RefChem:272527
TL;DR: RefChem:272527 (CAS 120465-96-5) is a chemical compound with molecular formula C17H27ClN2O2S2 and molecular weight 390.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-7-(5-chlorothiophen-2-yl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
Also Known As: 3-Butyl-7-((5-chloro-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane, 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-7-((5-chloro-2-thienyl)sulfonyl)-9,9-dimethyl-, 3-Butyl-7-(5-chlorothiophene-2-sulfonyl)-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane, 7-butyl-3-(5-chlorothiophen-2-yl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane, RefChem:272527
| Molecular Formula | C17H27ClN2O2S2 |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | 3.7801 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.12024 |
| Heavy Atoms | 24 |
| Complexity | 668.5176 |
Chemical Identifiers
| CAS Number | 120465-96-5 |
|---|---|
| SMILES | CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC=C(S3)Cl |
Product Overview
RefChem:272527 (CAS 120465-96-5), with molecular formula C17H27ClN2O2S2 and molecular weight 390.12 g/mol. IUPAC: 3-butyl-7-(5-chlorothiophen-2-yl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane.
Chemical Property Profile of RefChem:272527
Property Insights of RefChem:272527
The XLogP value of 3.7801 indicates that RefChem:272527 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:272527 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272527 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:272527?
The CAS number of RefChem:272527 is 120465-96-5.
What is the molecular formula of RefChem:272527?
The molecular formula of RefChem:272527 is C17H27ClN2O2S2.
What is the molecular weight of RefChem:272527?
The molecular weight of RefChem:272527 is 390.12 g/mol.
Where can I buy RefChem:272527?
You can request a quote for RefChem:272527 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272527?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272527 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.