1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester
TL;DR: 1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester (CAS 83354-01-2) is a chemical compound with molecular formula C25H33ClO7 and molecular weight 480.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetyloxy-7-(1-acetyloxy-2-hydroxypropan-2-yl)-8-chloro-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Also Known As: 1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester, Methyl 2,16-bis(acetyloxy)-14-chloro-15-hydroxyabieta-8,11,13-trien-18-oate, methyl 3-acetyloxy-7-(1-acetyloxy-2-hydroxypropan-2-yl)-8-chloro-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
| Molecular Formula | C25H33ClO7 |
|---|---|
| Molecular Weight | 480.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.19147 |
| Heavy Atoms | 33 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 83354-01-2 |
|---|---|
| SMILES | CC(=O)OCC(C)(C1=C(C2=C(C=C1)C3(CC(CC(C3CC2)(C)C(=O)OC)OC(=O)C)C)Cl)O |
| InChIKey | PRIWDSHEHYJLJD-UHFFFAOYSA-N |
Product Overview
1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester (CAS 83354-01-2), with molecular formula C25H33ClO7 and molecular weight 480.19 g/mol. IUPAC: methyl 3-acetyloxy-7-(1-acetyloxy-2-hydroxypropan-2-yl)-8-chloro-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate.
Chemical Property Profile of 1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester
Property Insights of 1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester
The XLogP value of 3.9 indicates that 1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester. Following Lipinski's Rule of Five, 1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester has 1 hydrogen bond donor(s) and 7 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-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester?
The CAS number of 1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester is 83354-01-2.
What is the molecular formula of 1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester?
The molecular formula of 1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester is C25H33ClO7.
What is the molecular weight of 1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester?
The molecular weight of 1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester is 480.19 g/mol.
Where can I buy 1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester?
You can request a quote for 1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-7-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.