4-Hexanone, 1-dimethylamino-3-phenyl-
TL;DR: 4-Hexanone, 1-dimethylamino-3-phenyl- (CAS 67227-14-9) is a chemical compound with molecular formula C14H21NO and molecular weight 219.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(dimethylamino)-4-phenylhexan-3-one
Also Known As: 1-Dimethylamino-3-phenyl-4-hexanone, 6-(dimethylamino)-4-phenylhexan-3-one, 4-HEXANONE, 1-DIMETHYLAMINO-3-PHENYL-, 6-(Dimethylamino)-4-phenyl-3-hexanone, 3-Hexanone, 6-(dimethylamino)-4-phenyl-
| Molecular Formula | C14H21NO |
|---|---|
| Molecular Weight | 219.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 219.16231 |
| Heavy Atoms | 16 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 67227-14-9 |
|---|---|
| SMILES | CCC(=O)C(CCN(C)C)C1=CC=CC=C1 |
| InChIKey | ZFQTWPRJPYNFEC-UHFFFAOYSA-N |
Product Overview
4-Hexanone, 1-dimethylamino-3-phenyl- (CAS 67227-14-9), with molecular formula C14H21NO and molecular weight 219.16 g/mol. IUPAC: 6-(dimethylamino)-4-phenylhexan-3-one.
Chemical Property Profile of 4-Hexanone, 1-dimethylamino-3-phenyl-
Property Insights of 4-Hexanone, 1-dimethylamino-3-phenyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hexanone, 1-dimethylamino-3-phenyl-. With a topological polar surface area (TPSA) of 20.3 Ų, 4-Hexanone, 1-dimethylamino-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexanone, 1-dimethylamino-3-phenyl- has 0 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 4-Hexanone, 1-dimethylamino-3-phenyl-?
The CAS number of 4-Hexanone, 1-dimethylamino-3-phenyl- is 67227-14-9.
What is the molecular formula of 4-Hexanone, 1-dimethylamino-3-phenyl-?
The molecular formula of 4-Hexanone, 1-dimethylamino-3-phenyl- is C14H21NO.
What is the molecular weight of 4-Hexanone, 1-dimethylamino-3-phenyl-?
The molecular weight of 4-Hexanone, 1-dimethylamino-3-phenyl- is 219.16 g/mol.
Where can I buy 4-Hexanone, 1-dimethylamino-3-phenyl-?
You can request a quote for 4-Hexanone, 1-dimethylamino-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexanone, 1-dimethylamino-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexanone, 1-dimethylamino-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.