6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride
TL;DR: 6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride (CAS 14254-86-5) is a chemical compound with molecular formula C22H25ClN2O3 and molecular weight 400.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[(3,4-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-yl]ethanone;hydrochloride
Also Known As: 6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride, 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-acetyl-1-(3,4-dimethoxybenzyl)-, hydrochloride, 1-[1-[(3,4-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-yl]ethanone hydrochloride, 1-{1-[(3,4-Dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-yl}ethan-1-one--hydrogen chloride (1/1), Ketone, methyl 2,3,4,9-tetrahydro-1-veratryl-1H-pyrido[3,4-b]indol-6-yl, monohydrochloride
| Molecular Formula | C22H25ClN2O3 |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | 4.239 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.15536 |
| Heavy Atoms | 28 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 14254-86-5 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)NC3=C2CCNC3CC4=CC(=C(C=C4)OC)OC.Cl |
| InChIKey | JOGHSKVBOYIYLC-UHFFFAOYSA-N |
Product Overview
6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride (CAS 14254-86-5), with molecular formula C22H25ClN2O3 and molecular weight 400.16 g/mol. IUPAC: 1-[1-[(3,4-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-yl]ethanone;hydrochloride.
Chemical Property Profile of 6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride
Property Insights of 6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride
The XLogP value of 4.239 indicates that 6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride. Following Lipinski's Rule of Five, 6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride has 3 hydrogen bond donor(s) and 4 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 6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride?
The CAS number of 6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride is 14254-86-5.
What is the molecular formula of 6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride?
The molecular formula of 6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride is C22H25ClN2O3.
What is the molecular weight of 6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride?
The molecular weight of 6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride is 400.16 g/mol.
Where can I buy 6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride?
You can request a quote for 6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.