4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline
TL;DR: 4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline (CAS 50527-38-3) is a chemical compound with molecular formula C18H24N2 and molecular weight 268.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane]
Also Known As: 4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-.gamma.-carboline, 2',3',4',5'-Tetrahydro-3',3'-dimethylspiro[cyclohexane-1,1'-[1H]pyrido[4,3-b]indole], 1,2,3,4-Tetrahydro-3,3-dimethylspiro[gamma-carboline-1,1 -cyclohexane], 3,3-DIMETHYL-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE-1-SPIROCYCLOHEXANE, 3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane]
| Molecular Formula | C18H24N2 |
|---|---|
| Molecular Weight | 268.19 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.19394 |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 50527-38-3 |
|---|---|
| SMILES | CC1(CC2=C(C3=CC=CC=C3N2)C4(N1)CCCCC4)C |
| InChIKey | WQHKGDKVBJGGSW-UHFFFAOYSA-N |
Product Overview
4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline (CAS 50527-38-3), with molecular formula C18H24N2 and molecular weight 268.19 g/mol. IUPAC: 3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane].
Chemical Property Profile of 4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline
Property Insights of 4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline
The XLogP value of 3.7 indicates that 4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.8 Ų, 4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline has 2 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 4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline?
The CAS number of 4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline is 50527-38-3.
What is the molecular formula of 4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline?
The molecular formula of 4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline is C18H24N2.
What is the molecular weight of 4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline?
The molecular weight of 4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline is 268.19 g/mol.
Where can I buy 4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline?
You can request a quote for 4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.