(1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
TL;DR: (1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid (CAS 88147-76-6) 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.
(1R,3R,4aS,10aR)-6-chloro-3-hydroxy-7-[(2R)-1-hydroxypropan-2-yl]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Also Known As: (1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid, 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(2-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,7(R*),10aalpha))-, 12-Chloro-2,16-dihydroxyabieta-8(14),9(11),12-trien-18-oic acid, (15R)-12-Chloro-2alpha,16-dihydroxyabieta-8(14),9(11),12-trien-18-oic acid, (1R,3R,4aS,10aR)-6-chloro-3-hydroxy-7-[(2R)-1-hydroxypropan-2-yl]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
| Molecular Formula | C20H27ClO4 |
|---|---|
| Molecular Weight | 366.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.1598 |
| Heavy Atoms | 25 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 88147-76-6 |
|---|---|
| SMILES | C[C@@H](CO)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(C[C@H](C[C@@]3(C)C(=O)O)O)C)Cl |
| InChIKey | BQJMAMOJNKLJLB-ITYJAPSPSA-N |
Product Overview
(1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid (CAS 88147-76-6), with molecular formula C20H27ClO4 and molecular weight 366.16 g/mol. IUPAC: (1R,3R,4aS,10aR)-6-chloro-3-hydroxy-7-[(2R)-1-hydroxypropan-2-yl]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid.
Chemical Property Profile of (1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Property Insights of (1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
The XLogP value of 3.6 indicates that (1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid. Following Lipinski's Rule of Five, (1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid has 3 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 (1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid?
The CAS number of (1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid is 88147-76-6.
What is the molecular formula of (1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid?
The molecular formula of (1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid is C20H27ClO4.
What is the molecular weight of (1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid?
The molecular weight of (1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid is 366.16 g/mol.
Where can I buy (1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid?
You can request a quote for (1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.