2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one)
TL;DR: 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one) (CAS 16807-58-2) is a chemical compound with molecular formula C21H20O4 and molecular weight 336.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-[1-(2-hydroxy-6-oxocyclohexen-1-yl)-3-phenylprop-2-ynyl]cyclohex-2-en-1-one
Also Known As: TimTec1_005669, A2738/0116295, 2,2'-(1-phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one), 2,2'-(3-Phenylprop-2-yne-1,1-diyl)bis(3-hydroxycyclohex-2-en-1-one), 3-hydroxy-2-[1-(2-hydroxy-6-oxocyclohexen-1-yl)-3-phenylprop-2-ynyl]cyclohex-2-en-1-one
| Molecular Formula | C21H20O4 |
|---|---|
| Molecular Weight | 336.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.13617 |
| Heavy Atoms | 25 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 16807-58-2 |
|---|---|
| SMILES | C1CC(=C(C(=O)C1)C(C#CC2=CC=CC=C2)C3=C(CCCC3=O)O)O |
| InChIKey | DZFUFQLTAAOJHG-UHFFFAOYSA-N |
Product Overview
2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one) (CAS 16807-58-2), with molecular formula C21H20O4 and molecular weight 336.14 g/mol. IUPAC: 3-hydroxy-2-[1-(2-hydroxy-6-oxocyclohexen-1-yl)-3-phenylprop-2-ynyl]cyclohex-2-en-1-one.
Chemical Property Profile of 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one)
Property Insights of 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one)
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one). The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one). Following Lipinski's Rule of Five, 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one) has 2 hydrogen bond donor(s) and 4 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 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one)?
The CAS number of 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one) is 16807-58-2.
What is the molecular formula of 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one)?
The molecular formula of 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one) is C21H20O4.
What is the molecular weight of 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one)?
The molecular weight of 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one) is 336.14 g/mol.
Where can I buy 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one)?
You can request a quote for 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-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 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.