双去甲基西布曲明
TL;DR: 双去甲基西布曲明 (CAS 84467-54-9) is a chemical compound with molecular formula C15H22ClN and molecular weight 251.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双去甲基西布曲明
1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-amine
Also Known As: didesmethylsibutramine, Didesmethyl Sibutramine, Didemethylsibutramine, N-Didesmethylsibutramine, N-Didemethylsibutramine
| Molecular Formula | C15H22ClN |
|---|---|
| Molecular Weight | 251.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.14407 |
| Heavy Atoms | 17 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 84467-54-9 |
|---|---|
| SMILES | CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N |
| InChIKey | WQSACWZKKZPCHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双去甲基西布曲明 (CAS 84467-54-9), with molecular formula C15H22ClN and molecular weight 251.14 g/mol. IUPAC: 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-amine.
Chemical Property Profile of 双去甲基西布曲明
Property Insights of 双去甲基西布曲明
The XLogP value of 4.5 indicates that 双去甲基西布曲明 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 双去甲基西布曲明 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双去甲基西布曲明 has 1 hydrogen bond donor(s) and 1 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 双去甲基西布曲明?
The CAS number of 双去甲基西布曲明 is 84467-54-9.
What is the molecular formula of 双去甲基西布曲明?
The molecular formula of 双去甲基西布曲明 is C15H22ClN.
What is the molecular weight of 双去甲基西布曲明?
The molecular weight of 双去甲基西布曲明 is 251.14 g/mol.
Where can I buy 双去甲基西布曲明?
You can request a quote for 双去甲基西布曲明 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双去甲基西布曲明?
Yes, KEHONG BIO provides custom synthesis services for 双去甲基西布曲明 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.