1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl-
TL;DR: 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl- (CAS 136375-94-5) is a chemical compound with molecular formula C19H31N and molecular weight 273.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-octylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
Also Known As: 8-(Octylamino)pentacyclo(5.4.0.0(sup 2,6).0(sup 3,10).0(sup 5,9))undecane, 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl-, N-Octylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine, N-Octyloctahydro-1H-2,4,1-(ethane[1,1,2]triyl)cyclobuta[cd]pentalen-5-amine, BRN 4743888
| Molecular Formula | C19H31N |
|---|---|
| Molecular Weight | 273.25 g/mol |
| LogP | 4.0829 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 273.24564 |
| Heavy Atoms | 20 |
| Complexity | 385.22748 |
Chemical Identifiers
| CAS Number | 136375-94-5 |
|---|---|
| SMILES | CCCCCCCCNC1C2C3CC4C1C5C2CC3C45 |
Product Overview
1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl- (CAS 136375-94-5), with molecular formula C19H31N and molecular weight 273.25 g/mol. IUPAC: N-octylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine.
Chemical Property Profile of 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl-
Property Insights of 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl-
The XLogP value of 4.0829 indicates that 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl- 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 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl-?
The CAS number of 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl- is 136375-94-5.
What is the molecular formula of 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl-?
The molecular formula of 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl- is C19H31N.
What is the molecular weight of 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl-?
The molecular weight of 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl- is 273.25 g/mol.
Where can I buy 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl-?
You can request a quote for 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-octyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.