Butinazocine
TL;DR: Butinazocine (CAS 93821-75-1) is a chemical compound with molecular formula C18H23NO2 and molecular weight 285.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-but-3-ynyl-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-1,4-diol
Also Known As: Butinazocine, butinazocina, Butinazocine [INN], 10-but-3-ynyl-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-1,4-diol
| Molecular Formula | C18H23NO2 |
|---|---|
| Molecular Weight | 285.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.17288 |
| Heavy Atoms | 21 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 93821-75-1 |
|---|---|
| SMILES | CC1(C2CC3=C(C1(CCN2CCC#C)O)C=C(C=C3)O)C |
| InChIKey | YEFFVIUQXXNVGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butinazocine (CAS 93821-75-1), with molecular formula C18H23NO2 and molecular weight 285.17 g/mol. IUPAC: 10-but-3-ynyl-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-1,4-diol.
Chemical Property Profile of Butinazocine
Property Insights of Butinazocine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butinazocine. With a topological polar surface area (TPSA) of 43.7 Ų, Butinazocine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butinazocine has 2 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 Butinazocine?
The CAS number of Butinazocine is 93821-75-1.
What is the molecular formula of Butinazocine?
The molecular formula of Butinazocine is C18H23NO2.
What is the molecular weight of Butinazocine?
The molecular weight of Butinazocine is 285.17 g/mol.
Where can I buy Butinazocine?
You can request a quote for Butinazocine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butinazocine?
Yes, KEHONG BIO provides custom synthesis services for Butinazocine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.