3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile
TL;DR: 3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile (CAS 302326-13-2) is a chemical compound with molecular formula C14H21N and molecular weight 203.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile
Also Known As: 3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile
| Molecular Formula | C14H21N |
|---|---|
| Molecular Weight | 203.17 g/mol |
| LogP | 4.06278 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.1674 |
| Heavy Atoms | 15 |
| Complexity | 329.7381 |
Chemical Identifiers
| CAS Number | 302326-13-2 |
|---|---|
| SMILES | CC1CC2=C(CC1C#N)C(CCC2)(C)C |
Product Overview
3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile (CAS 302326-13-2), with molecular formula C14H21N and molecular weight 203.17 g/mol. IUPAC: 3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile.
Chemical Property Profile of 3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile
Property Insights of 3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile
The XLogP value of 4.06278 indicates that 3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-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, 3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-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 3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile?
The CAS number of 3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile is 302326-13-2.
What is the molecular formula of 3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile?
The molecular formula of 3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile is C14H21N.
What is the molecular weight of 3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile?
The molecular weight of 3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile is 203.17 g/mol.
Where can I buy 3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile?
You can request a quote for 3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-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 3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.