4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile
TL;DR: 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile (CAS 7237-64-1) is a chemical compound with molecular formula C13H19N and molecular weight 189.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile
Also Known As: 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile, 4a,8-Dimethyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenecarbonitril e, 4a,8-Dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalene-2-carbonitrile
| Molecular Formula | C13H19N |
|---|---|
| Molecular Weight | 189.15 g/mol |
| LogP | 3.67268 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.15175 |
| Heavy Atoms | 14 |
| Complexity | 296.84766 |
Chemical Identifiers
| CAS Number | 7237-64-1 |
|---|---|
| SMILES | CC1CCCC2(C1=CC(CC2)C#N)C |
Product Overview
4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile (CAS 7237-64-1), with molecular formula C13H19N and molecular weight 189.15 g/mol. IUPAC: 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile.
Chemical Property Profile of 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile
Property Insights of 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile
The XLogP value of 3.67268 indicates that 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile has 0 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 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile?
The CAS number of 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile is 7237-64-1.
What is the molecular formula of 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile?
The molecular formula of 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile is C13H19N.
What is the molecular weight of 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile?
The molecular weight of 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile is 189.15 g/mol.
Where can I buy 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile?
You can request a quote for 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.