1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne
TL;DR: 1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne (CAS 83400-64-0) is a chemical compound with molecular formula C20H27ClO4 and molecular weight 366.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-chloro-3-hydroxy-7-(1-hydroxypropan-2-yl)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
Also Known As: 1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne, methyl 8-chloro-3-hydroxy-7-(1-hydroxypropan-2-yl)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate, methyl 8-chloro-3-hydroxy-7-(1-hydroxypropan-2-yl)-4a-methyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
| Molecular Formula | C20H27ClO4 |
|---|---|
| Molecular Weight | 366.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.1598 |
| Heavy Atoms | 25 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 83400-64-0 |
|---|---|
| SMILES | CC(CO)C1=C(C2=C(C=C1)C3(CC(CC(C3CC2)C(=O)OC)O)C)Cl |
| InChIKey | GAKNNTSLXWULPH-UHFFFAOYSA-N |
Product Overview
1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne (CAS 83400-64-0), with molecular formula C20H27ClO4 and molecular weight 366.16 g/mol. IUPAC: methyl 8-chloro-3-hydroxy-7-(1-hydroxypropan-2-yl)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate.
Chemical Property Profile of 1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne
Property Insights of 1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne
The XLogP value of 3.6 indicates that 1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne. Following Lipinski's Rule of Five, 1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne 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 1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne?
The CAS number of 1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne is 83400-64-0.
What is the molecular formula of 1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne?
The molecular formula of 1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne is C20H27ClO4.
What is the molecular weight of 1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne?
The molecular weight of 1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne is 366.16 g/mol.
Where can I buy 1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne?
You can request a quote for 1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne?
Yes, KEHONG BIO provides custom synthesis services for 1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.