1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride
TL;DR: 1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride (CAS 79931-45-6) is a chemical compound with molecular formula C16H18Cl2N2 and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;hydrochloride
Also Known As: 1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride, 1H-Indole, 5-chloro-3-(1,2,3,6-tetrahydro-1-(2-propenyl)-4-pyridinyl)-, hydrochloride, 3-(1-Allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-1H-indole hydrochloride, 5-chloro-3-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole hydrochloride, 5-Chloro-3-[1-(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indole--hydrogen chloride (1/1)
| Molecular Formula | C16H18Cl2N2 |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 4.5182 |
| Topological Polar Surface Area | 19.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.08472 |
| Heavy Atoms | 20 |
| Complexity | 642.96436 |
Chemical Identifiers
| CAS Number | 79931-45-6 |
|---|---|
| SMILES | C=CCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)Cl.Cl |
Product Overview
1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride (CAS 79931-45-6), with molecular formula C16H18Cl2N2 and molecular weight 308.08 g/mol. IUPAC: 5-chloro-3-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;hydrochloride.
Chemical Property Profile of 1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride
Property Insights of 1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride
The XLogP value of 4.5182 indicates that 1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.03 Ų, 1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride 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 1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride?
The CAS number of 1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride is 79931-45-6.
What is the molecular formula of 1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride?
The molecular formula of 1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride is C16H18Cl2N2.
What is the molecular weight of 1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride?
The molecular weight of 1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride is 308.08 g/mol.
Where can I buy 1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride?
You can request a quote for 1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.