Cicloxolone
TL;DR: Cicloxolone (CAS 52247-86-6) is a chemical compound with molecular formula C38H56O7 and molecular weight 624.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(2-carboxycyclohexanecarbonyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Also Known As: Cicloxolone, 10-(2-carboxycyclohexanecarbonyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid, (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-[(1R,2S)-2-carboxycycl, 3-hydroxy-11-oxoolean-12-en-30-oic acid 1,2-cyclohexanedicarboxylate, Olean-12-en-29-oic acid, 3-[(1R,2S)-2-carboxycyclohexyl-carbonyl]oxy-11-oxo-, (3.beta.,20.beta.)-
| Molecular Formula | C38H56O7 |
|---|---|
| Molecular Weight | 624.40 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 624.4026 |
| Heavy Atoms | 45 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 52247-86-6 |
|---|---|
| SMILES | CC1(C2CCC3(C(C2(CCC1OC(=O)C4CCCCC4C(=O)O)C)C(=O)C=C5C3(CCC6(C5CC(CC6)(C)C(=O)O)C)C)C)C |
| InChIKey | IPIHZIYZLLMCRF-UHFFFAOYSA-N |
Product Overview
Cicloxolone (CAS 52247-86-6), with molecular formula C38H56O7 and molecular weight 624.40 g/mol. IUPAC: 10-(2-carboxycyclohexanecarbonyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid.
Chemical Property Profile of Cicloxolone
Property Insights of Cicloxolone
The XLogP value of 8.1 indicates that Cicloxolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cicloxolone. Following Lipinski's Rule of Five, Cicloxolone has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cicloxolone?
The CAS number of Cicloxolone is 52247-86-6.
What is the molecular formula of Cicloxolone?
The molecular formula of Cicloxolone is C38H56O7.
What is the molecular weight of Cicloxolone?
The molecular weight of Cicloxolone is 624.40 g/mol.
Where can I buy Cicloxolone?
You can request a quote for Cicloxolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cicloxolone?
Yes, KEHONG BIO provides custom synthesis services for Cicloxolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.