1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl-
TL;DR: 1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl- (CAS 72152-84-2) is a chemical compound with molecular formula C10H13N and molecular weight 147.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile
Also Known As: 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile, starbld0036991, 2,6,6-Trimethylcyclohexa-1,3-dien-1-ylcarbonitrile, 1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl-, 1-Cyano-2,6,6-trimethyl-1,3-cyclohexadiene
| Molecular Formula | C10H13N |
|---|---|
| Molecular Weight | 147.10 g/mol |
| LogP | 2.81258 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.1048 |
| Heavy Atoms | 11 |
| Complexity | 261.0876 |
Chemical Identifiers
| CAS Number | 72152-84-2 |
|---|---|
| SMILES | CC1=C(C(CC=C1)(C)C)C#N |
Product Overview
1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl- (CAS 72152-84-2), with molecular formula C10H13N and molecular weight 147.10 g/mol. IUPAC: 2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile.
Chemical Property Profile of 1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl-
Property Insights of 1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl-
The XLogP value of 2.81258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl-. With a topological polar surface area (TPSA) of 23.79 Ų, 1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl- 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 1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl-?
The CAS number of 1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl- is 72152-84-2.
What is the molecular formula of 1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl-?
The molecular formula of 1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl- is C10H13N.
What is the molecular weight of 1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl-?
The molecular weight of 1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl- is 147.10 g/mol.
Where can I buy 1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl-?
You can request a quote for 1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexadiene-1-carbonitrile, 2,6,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.