1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))-
TL;DR: 1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))- (CAS 83353-98-4) 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 (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-7-(2-hydroxypropan-2-yl)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
Also Known As: 1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))-, methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-7-(2-hydroxypropan-2-yl)-4a-methyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate, methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-7-(2-hydroxypropan-2-yl)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate, Methyl 8-chloro-3-hydroxy-7-(2-hydroxypropan-2-yl)-4a-methyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate, methyl(1r,3s,4as,10as)-8-chloro-3-hydroxy-7-(2-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 | 3.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.1598 |
| Heavy Atoms | 25 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 83353-98-4 |
|---|---|
| SMILES | C[C@]12C[C@H](C[C@H]([C@@H]1CCC3=C2C=CC(=C3Cl)C(C)(C)O)C(=O)OC)O |
| InChIKey | MDJHKEQORRUNPH-UNAFCIBKSA-N |
Product Overview
1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))- (CAS 83353-98-4), with molecular formula C20H27ClO4 and molecular weight 366.16 g/mol. IUPAC: methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-7-(2-hydroxypropan-2-yl)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate.
Chemical Property Profile of 1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))-
Property Insights of 1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))-
The XLogP value of 3.4 indicates that 1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))- 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-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))-. Following Lipinski's Rule of Five, 1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))- 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-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))-?
The CAS number of 1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))- is 83353-98-4.
What is the molecular formula of 1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))-?
The molecular formula of 1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))- is C20H27ClO4.
What is the molecular weight of 1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))-?
The molecular weight of 1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))- is 366.16 g/mol.
Where can I buy 1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))-?
You can request a quote for 1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))- 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, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))-?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,10aalpha))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.