1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs
TL;DR: 1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs (CAS 442656-02-2) is a chemical compound with molecular formula C22H23ClN6OS and molecular weight 454.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4aR,9bS)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
Also Known As: 1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs, 1H-Pyrido(4,3-b)indole, 5-(((1-(4-chlorophenyl)-1H-tetrazol-5-yl)thio)acetyl)-2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-, 4aR,9bs, Ethanone, 2-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)thio)-1-(1,2,3,4,4a,9b-hexahydro-2,8-dimethyl-5H-pyrido(4,3-b)indol-5-yl)-, A2763/0117208, cis-2-[[1-(4-Chlorophenyl)-1H-tetrazol-5-yl]thio]-1-(1,2,3,4,4a,9b-hexahydro-2,8-dimethyl-5H-pyrido[4,3-b]indol-5-yl)-ethanone
| Molecular Formula | C22H23ClN6OS |
|---|---|
| Molecular Weight | 454.13 g/mol |
| LogP | 3.55072 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.13425 |
| Heavy Atoms | 31 |
| Complexity | 1117.4438 |
Chemical Identifiers
| CAS Number | 442656-02-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N([C@H]3[C@@H]2CN(CC3)C)C(=O)CSC4=NN=NN4C5=CC=C(C=C5)Cl |
Product Overview
1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs (CAS 442656-02-2), with molecular formula C22H23ClN6OS and molecular weight 454.13 g/mol. IUPAC: 1-[(4aR,9bS)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone.
Chemical Property Profile of 1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs
Property Insights of 1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs
The XLogP value of 3.55072 indicates that 1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs. Following Lipinski's Rule of Five, 1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs has 0 hydrogen bond donor(s) and 6 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 1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs?
The CAS number of 1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs is 442656-02-2.
What is the molecular formula of 1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs?
The molecular formula of 1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs is C22H23ClN6OS.
What is the molecular weight of 1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs?
The molecular weight of 1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs is 454.13 g/mol.
Where can I buy 1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs?
You can request a quote for 1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs?
Yes, KEHONG BIO provides custom synthesis services for 1-((4aR,9bS)-2,8-Dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido(4,3-b)indol-5-yl)-2-(1-(4-chlorophenyl)tetrazol-5-yl)sulfanyl-ethanone, 4aR,9bs and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.