3,3-Dimethyl-4-phenylamino-butan-2-one
TL;DR: 3,3-Dimethyl-4-phenylamino-butan-2-one (CAS 115437-14-4) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-3,3-dimethylbutan-2-one
Also Known As: 4-Anilino-3,3-dimethyl-2-butanone, 4-anilino-3,3-dimethylbutan-2-one, 3,3-dimethyl-4-(phenylamino)-2-butanone, 4-Anilino-3,3-dimethyl-2-butanone #, 3,3-Dimethyl-4-phenylamino-butan-2-one
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 115437-14-4 |
|---|---|
| SMILES | CC(=O)C(C)(C)CNC1=CC=CC=C1 |
| InChIKey | ATSCISBTHNXTJZ-UHFFFAOYSA-N |
Product Overview
3,3-Dimethyl-4-phenylamino-butan-2-one (CAS 115437-14-4), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: 4-anilino-3,3-dimethylbutan-2-one.
Chemical Property Profile of 3,3-Dimethyl-4-phenylamino-butan-2-one
Property Insights of 3,3-Dimethyl-4-phenylamino-butan-2-one
The XLogP value of 3.0 indicates that 3,3-Dimethyl-4-phenylamino-butan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3,3-Dimethyl-4-phenylamino-butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-4-phenylamino-butan-2-one 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 3,3-Dimethyl-4-phenylamino-butan-2-one?
The CAS number of 3,3-Dimethyl-4-phenylamino-butan-2-one is 115437-14-4.
What is the molecular formula of 3,3-Dimethyl-4-phenylamino-butan-2-one?
The molecular formula of 3,3-Dimethyl-4-phenylamino-butan-2-one is C12H17NO.
What is the molecular weight of 3,3-Dimethyl-4-phenylamino-butan-2-one?
The molecular weight of 3,3-Dimethyl-4-phenylamino-butan-2-one is 191.13 g/mol.
Where can I buy 3,3-Dimethyl-4-phenylamino-butan-2-one?
You can request a quote for 3,3-Dimethyl-4-phenylamino-butan-2-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-Dimethyl-4-phenylamino-butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-4-phenylamino-butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.