![3-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one structure](/static/products/506/50685-31-9.png)
3-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
TL;DR: 3-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one (CAS 50685-31-9) is a chemical compound with molecular formula C14H17NO2 and molecular weight 231.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one
Also Known As: J1.420.953K, 3-[(3-hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one, 3-(3-Hydroxyanilino)-5,5-dimethyl-2-cyclohexen-1-one, 3-(3-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one, 3-(3-hydroxyanilino)-5,5-dimethyl-1-cyclohex-2-enone
| Molecular Formula | C14H17NO2 |
|---|---|
| Molecular Weight | 231.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.12593 |
| Heavy Atoms | 17 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 50685-31-9 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NC2=CC(=CC=C2)O)C |
| InChIKey | IJNNTWLTTFJSLW-UHFFFAOYSA-N |
Product Overview
3-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one (CAS 50685-31-9), with molecular formula C14H17NO2 and molecular weight 231.13 g/mol. IUPAC: 3-(3-hydroxyanilino)-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Property Insights of 3-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 49.3 Ų, 3-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one has 2 hydrogen bond donor(s) and 3 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-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
The CAS number of 3-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one is 50685-31-9.
What is the molecular formula of 3-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
The molecular formula of 3-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one is C14H17NO2.
What is the molecular weight of 3-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
The molecular weight of 3-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one is 231.13 g/mol.
Where can I buy 3-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
You can request a quote for 3-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Hydroxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.