1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))-
TL;DR: 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))- (CAS 88147-74-4) is a chemical compound with molecular formula C20H27ClO3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,3S,4aS,10aS)-6-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
Also Known As: 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))-, 1-Phenanthrenecarboxylicacid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1a,3a,4ab,10aa)]- (9CI), Methyl (1R,3S,4aS,10aS)-6-chloro-3-hydroxy-4a-methyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate, methyl (1R,3S,4aS,10aS)-6-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate, Methyl 6-chloro-3-hydroxy-4a-methyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
| Molecular Formula | C20H27ClO3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.1649 |
| Heavy Atoms | 24 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 88147-74-4 |
|---|---|
| SMILES | CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(C[C@H](C[C@H]3C(=O)OC)O)C)Cl |
| InChIKey | BCNHJVMATDVEEO-YEOLMYPVSA-N |
Product Overview
1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))- (CAS 88147-74-4), with molecular formula C20H27ClO3 and molecular weight 350.16 g/mol. IUPAC: methyl (1R,3S,4aS,10aS)-6-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate.
Chemical Property Profile of 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))-
Property Insights of 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))-
The XLogP value of 4.8 indicates that 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))- has 1 hydrogen bond donor(s) and 3 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, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))-?
The CAS number of 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))- is 88147-74-4.
What is the molecular formula of 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))-?
The molecular formula of 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))- is C20H27ClO3.
What is the molecular weight of 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))-?
The molecular weight of 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))- is 350.16 g/mol.
Where can I buy 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))-?
You can request a quote for 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (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, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))-?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.