3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl
TL;DR: 3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl (CAS 67877-76-3) is a chemical compound with molecular formula C18H21ClN2O and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(E)-but-2-enyl]-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one;hydrochloride
Also Known As: 3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl, 3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one hydrochloride, 1,2,3,3a,4,5-Hexahydro-3-(2-butenyl)-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one, hydrochloride, 6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 1,2,3,3a,4,5-hexahydro-3-(2-butenyl)-, monohydrochloride, RefChem:1066498
| Molecular Formula | C18H21ClN2O |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | 3.9724 |
| Topological Polar Surface Area | 25.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.13425 |
| Heavy Atoms | 22 |
| Complexity | 746.87024 |
Chemical Identifiers
| CAS Number | 67877-76-3 |
|---|---|
| SMILES | C/C=C/CN1CCC2=C3C1CCC(=O)N3C4=CC=CC=C24.Cl |
Product Overview
3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl (CAS 67877-76-3), with molecular formula C18H21ClN2O and molecular weight 316.13 g/mol. IUPAC: 6-[(E)-but-2-enyl]-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one;hydrochloride.
Chemical Property Profile of 3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl
Property Insights of 3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl
The XLogP value of 3.9724 indicates that 3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.24 Ų, 3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl has 0 hydrogen bond donor(s) and 2 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 3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl?
The CAS number of 3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl is 67877-76-3.
What is the molecular formula of 3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl?
The molecular formula of 3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl is C18H21ClN2O.
What is the molecular weight of 3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl?
The molecular weight of 3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl is 316.13 g/mol.
Where can I buy 3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl?
You can request a quote for 3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Butenyl)-1,2,3,3a,4,5-hexahydrocanthin-6-one HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.