1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)-
TL;DR: 1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)- (CAS 86547-13-9) is a chemical compound with molecular formula C26H26Cl2N4O3 and molecular weight 512.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dichloro-1-(imidazole-1-carbonyl)-7-(1-imidazol-1-yl-1-oxopropan-2-yl)-1,4a-dimethyl-4,9,10,10a-tetrahydro-2H-phenanthren-3-one
Also Known As: 1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)-, 12,14-Dichloro-16,18-di(1H-imidazol-1-yl)abieta-8(14),9(11),12-triene-2,16,18-trione, 6,8-dichloro-1-(imidazole-1-carbonyl)-7-(1-imidazol-1-yl-1-oxopropan-2-yl)-1,4a-dimethyl-4,9,10,10a-tetrahydro-2H-phenanthren-3-one
| Molecular Formula | C26H26Cl2N4O3 |
|---|---|
| Molecular Weight | 512.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 512.1382 |
| Heavy Atoms | 35 |
| Complexity | 889.0 |
Chemical Identifiers
| CAS Number | 86547-13-9 |
|---|---|
| SMILES | CC(C1=C(C=C2C(=C1Cl)CCC3C2(CC(=O)CC3(C)C(=O)N4C=CN=C4)C)Cl)C(=O)N5C=CN=C5 |
| InChIKey | GQLIHUCPFUHXDB-UHFFFAOYSA-N |
Product Overview
1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)- (CAS 86547-13-9), with molecular formula C26H26Cl2N4O3 and molecular weight 512.14 g/mol. IUPAC: 6,8-dichloro-1-(imidazole-1-carbonyl)-7-(1-imidazol-1-yl-1-oxopropan-2-yl)-1,4a-dimethyl-4,9,10,10a-tetrahydro-2H-phenanthren-3-one.
Chemical Property Profile of 1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)-
Property Insights of 1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)-
The XLogP value of 4.2 indicates that 1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)-. Following Lipinski's Rule of Five, 1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)-?
The CAS number of 1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)- is 86547-13-9.
What is the molecular formula of 1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)-?
The molecular formula of 1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)- is C26H26Cl2N4O3.
What is the molecular weight of 1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)-?
The molecular weight of 1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)- is 512.14 g/mol.
Where can I buy 1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)-?
You can request a quote for 1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole, 1-(2-(1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8-(1H-imidazol-1-ylcarbonyl)-4b,8-dimethyl-6-oxo-2-phenanthrenyl)-1-oxopropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.