![5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole structure](/static/products/5148/514854-75-2.webp)
5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
TL;DR: 5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole (CAS 514854-75-2) is a chemical compound with molecular formula C21H23ClN2O and molecular weight 354.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone
Also Known As: 5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole, 2-(4-chlorophenyl)-1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone, 2-(4-chlorophenyl)-1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)ethanone
| Molecular Formula | C21H23ClN2O |
|---|---|
| Molecular Weight | 354.15 g/mol |
| LogP | 4.02542 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.1499 |
| Heavy Atoms | 25 |
| Complexity | 802.0434 |
Chemical Identifiers
| CAS Number | 514854-75-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)CC4=CC=C(C=C4)Cl |
Product Overview
5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole (CAS 514854-75-2), with molecular formula C21H23ClN2O and molecular weight 354.15 g/mol. IUPAC: 2-(4-chlorophenyl)-1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone.
Chemical Property Profile of 5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
Property Insights of 5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
The XLogP value of 4.02542 indicates that 5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole 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 5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole?
The CAS number of 5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole is 514854-75-2.
What is the molecular formula of 5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole?
The molecular formula of 5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole is C21H23ClN2O.
What is the molecular weight of 5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole?
The molecular weight of 5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole is 354.15 g/mol.
Where can I buy 5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole?
You can request a quote for 5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-chlorophenyl)acetyl]-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.