Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl-
TL;DR: Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl- (CAS 114479-11-7) is a chemical compound with molecular formula C17H17NO and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3-dimethylindol-2-yl)-4-methylphenol
Also Known As: ChemDiv3_014973, Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl-, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methylphenol, 1,4-Cyclohexanedicarboxylic acid,monoethyl ester, (6E)-6-(3,3-dimethyl-1H-indol-2-ylidene)-4-methylcyclohexa-2,4-dien-1-one
| Molecular Formula | C17H17NO |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 4.11262 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.13101 |
| Heavy Atoms | 19 |
| Complexity | 683.41144 |
Chemical Identifiers
| CAS Number | 114479-11-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)C2=NC3=CC=CC=C3C2(C)C |
Product Overview
Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl- (CAS 114479-11-7), with molecular formula C17H17NO and molecular weight 251.13 g/mol. IUPAC: 2-(3,3-dimethylindol-2-yl)-4-methylphenol.
Chemical Property Profile of Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl-
Property Insights of Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl-
The XLogP value of 4.11262 indicates that Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.59 Ų, Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl- has 1 hydrogen bond donor(s) and 2 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 Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl-?
The CAS number of Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl- is 114479-11-7.
What is the molecular formula of Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl-?
The molecular formula of Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl- is C17H17NO.
What is the molecular weight of Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl-?
The molecular weight of Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl- is 251.13 g/mol.
Where can I buy Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl-?
You can request a quote for Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-(3,3-dimethyl-3H-indol-2-yl)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.