3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl-
TL;DR: 3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl- (CAS 86551-25-9) is a chemical compound with molecular formula C23H26Cl2N2O3 and molecular weight 448.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dichloro-7-(1-hydroxypropan-2-yl)-1-(imidazole-1-carbonyl)-1,4a-dimethyl-4,9,10,10a-tetrahydro-2H-phenanthren-3-one
Also Known As: 3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl-, 12,14-Dichloro-16-hydroxy-18-(1H-imidazol-1-yl)abieta-8(14),9(11),12-triene-2,18-dione, 6,8-dichloro-7-(1-hydroxypropan-2-yl)-1-(imidazole-1-carbonyl)-1,4a-dimethyl-4,9,10,10a-tetrahydro-2H-phenanthren-3-one
| Molecular Formula | C23H26Cl2N2O3 |
|---|---|
| Molecular Weight | 448.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.13205 |
| Heavy Atoms | 30 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 86551-25-9 |
|---|---|
| SMILES | CC(CO)C1=C(C=C2C(=C1Cl)CCC3C2(CC(=O)CC3(C)C(=O)N4C=CN=C4)C)Cl |
| InChIKey | IKDFUVIBIIPYCZ-UHFFFAOYSA-N |
Product Overview
3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl- (CAS 86551-25-9), with molecular formula C23H26Cl2N2O3 and molecular weight 448.13 g/mol. IUPAC: 6,8-dichloro-7-(1-hydroxypropan-2-yl)-1-(imidazole-1-carbonyl)-1,4a-dimethyl-4,9,10,10a-tetrahydro-2H-phenanthren-3-one.
Chemical Property Profile of 3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl-
Property Insights of 3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl-
The XLogP value of 4.0 indicates that 3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl-. Following Lipinski's Rule of Five, 3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl- has 1 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 3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl-?
The CAS number of 3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl- is 86551-25-9.
What is the molecular formula of 3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl-?
The molecular formula of 3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl- is C23H26Cl2N2O3.
What is the molecular weight of 3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl-?
The molecular weight of 3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl- is 448.13 g/mol.
Where can I buy 3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl-?
You can request a quote for 3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Phenanthrenone, 6,8-dichloro-1,4,4a,9,10,10a-hexahydro-7-(2-hydroxy-1-methylethyl)-1-(1H-imidazol-1-ylcarbonyl)-1,4a-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.