1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl-
TL;DR: 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl- (CAS 63084-13-9) is a chemical compound with molecular formula C16H21N and molecular weight 227.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2,3,3,6-hexamethyl-2H-indene-5-carbonitrile
Also Known As: 1,1,2,3,3,6-Hexamethyl-5-cyanoindan, 1,1,2,3,3,5-Hexamethylindan-6-Nitrile, 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl-, C33-H37-N5.2Cl-H.1/2H2-O, 1,1,2,3,3,6-Hexamethyl-indan-5-carbonitrile
| Molecular Formula | C16H21N |
|---|---|
| Molecular Weight | 227.17 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.1674 |
| Heavy Atoms | 17 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 63084-13-9 |
|---|---|
| SMILES | CC1C(C2=C(C1(C)C)C=C(C(=C2)C)C#N)(C)C |
| InChIKey | IFBLMNBANYFBBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl- (CAS 63084-13-9), with molecular formula C16H21N and molecular weight 227.17 g/mol. IUPAC: 1,1,2,3,3,6-hexamethyl-2H-indene-5-carbonitrile.
Chemical Property Profile of 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl-
Property Insights of 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl-
The XLogP value of 4.8 indicates that 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl- 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 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl-?
The CAS number of 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl- is 63084-13-9.
What is the molecular formula of 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl-?
The molecular formula of 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl- is C16H21N.
What is the molecular weight of 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl-?
The molecular weight of 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl- is 227.17 g/mol.
Where can I buy 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl-?
You can request a quote for 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,2,3,3,6-hexamethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.