3-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride
TL;DR: 3-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride (CAS 67877-72-9) is a chemical compound with molecular formula C17H19ClN2O and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-prop-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-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride, 6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 1,2,3,3a,4,5-hexahydro-3-(2-propenyl)-, monohydrochloride, 1,2,3,3a,4,5-Hexahydro-3-(2-propenyl)-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one, HCl, 3-(Prop-2-en-1-yl)-1,2,3,3a,4,5-hexahydro-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one--hydrogen chloride (1/1), RefChem:309676
| Molecular Formula | C17H19ClN2O |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 3.5823 |
| Topological Polar Surface Area | 25.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.1186 |
| Heavy Atoms | 21 |
| Complexity | 718.89355 |
Chemical Identifiers
| CAS Number | 67877-72-9 |
|---|---|
| SMILES | C=CCN1CCC2=C3C1CCC(=O)N3C4=CC=CC=C24.Cl |
Product Overview
3-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride (CAS 67877-72-9), with molecular formula C17H19ClN2O and molecular weight 302.12 g/mol. IUPAC: 6-prop-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-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride
Property Insights of 3-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride
The XLogP value of 3.5823 indicates that 3-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride 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-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride 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-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride?
The CAS number of 3-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride is 67877-72-9.
What is the molecular formula of 3-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride?
The molecular formula of 3-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride is C17H19ClN2O.
What is the molecular weight of 3-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride?
The molecular weight of 3-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride is 302.12 g/mol.
Where can I buy 3-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride?
You can request a quote for 3-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-1,2,3,3a,4,5-hexahydro-6-canthinon hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.