3,5-Hexadien-2-one, 6-(phenyl-d5)-
TL;DR: 3,5-Hexadien-2-one, 6-(phenyl-d5)- (CAS 91859-41-5) is a chemical compound with molecular formula C12H12O and molecular weight 177.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E,5E)-6-(2,3,4,5,6-pentadeuteriophenyl)hexa-3,5-dien-2-one
Also Known As: 3,5-Hexadien-2-one, 6-(phenyl-d5)-, (3E,5E)-6-(2,3,4,5,6-pentadeuteriophenyl)hexa-3,5-dien-2-one, 1,3-Dithiole-2-thione,4-(3,5-dichloro-2-hydroxyphenyl)
| Molecular Formula | C12H12O |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 2.845 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.1202 |
| Heavy Atoms | 13 |
| Complexity | 516.88416 |
Chemical Identifiers
| CAS Number | 91859-41-5 |
|---|---|
| SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])/C=C/C=C/C(=O)C)[2H])[2H] |
Product Overview
3,5-Hexadien-2-one, 6-(phenyl-d5)- (CAS 91859-41-5), with molecular formula C12H12O and molecular weight 177.12 g/mol. IUPAC: (3E,5E)-6-(2,3,4,5,6-pentadeuteriophenyl)hexa-3,5-dien-2-one.
Chemical Property Profile of 3,5-Hexadien-2-one, 6-(phenyl-d5)-
Property Insights of 3,5-Hexadien-2-one, 6-(phenyl-d5)-
The XLogP value of 2.845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Hexadien-2-one, 6-(phenyl-d5)-. With a topological polar surface area (TPSA) of 17.07 Ų, 3,5-Hexadien-2-one, 6-(phenyl-d5)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Hexadien-2-one, 6-(phenyl-d5)- 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 3,5-Hexadien-2-one, 6-(phenyl-d5)-?
The CAS number of 3,5-Hexadien-2-one, 6-(phenyl-d5)- is 91859-41-5.
What is the molecular formula of 3,5-Hexadien-2-one, 6-(phenyl-d5)-?
The molecular formula of 3,5-Hexadien-2-one, 6-(phenyl-d5)- is C12H12O.
What is the molecular weight of 3,5-Hexadien-2-one, 6-(phenyl-d5)-?
The molecular weight of 3,5-Hexadien-2-one, 6-(phenyl-d5)- is 177.12 g/mol.
Where can I buy 3,5-Hexadien-2-one, 6-(phenyl-d5)-?
You can request a quote for 3,5-Hexadien-2-one, 6-(phenyl-d5)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Hexadien-2-one, 6-(phenyl-d5)-?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Hexadien-2-one, 6-(phenyl-d5)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.