Deloxolone
TL;DR: Deloxolone (CAS 68635-50-7) is a chemical compound with molecular formula C34H52O6 and molecular weight 556.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4aS,6aR,6bS,8aR,10S,12aS,14aR,14bS)-10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid
Also Known As: Deloxolone, Deloxolonum, deloxolona, Deloxolone [INN], Deloxolone sodium
| Molecular Formula | C34H52O6 |
|---|---|
| Molecular Weight | 556.38 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 556.3764 |
| Heavy Atoms | 40 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 68635-50-7 |
|---|---|
| SMILES | C[C@]12CC[C@](C[C@H]1[C@H]3CC=C4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)O)C)(C)C(=O)O |
| InChIKey | VRFVGZRKFFTPCG-KYHPDETOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Deloxolone (CAS 68635-50-7), with molecular formula C34H52O6 and molecular weight 556.38 g/mol. IUPAC: (2S,4aS,6aR,6bS,8aR,10S,12aS,14aR,14bS)-10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid.
Chemical Property Profile of Deloxolone
Property Insights of Deloxolone
The XLogP value of 7.6 indicates that Deloxolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Deloxolone. Following Lipinski's Rule of Five, Deloxolone has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deloxolone?
The CAS number of Deloxolone is 68635-50-7.
What is the molecular formula of Deloxolone?
The molecular formula of Deloxolone is C34H52O6.
What is the molecular weight of Deloxolone?
The molecular weight of Deloxolone is 556.38 g/mol.
Where can I buy Deloxolone?
You can request a quote for Deloxolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deloxolone?
Yes, KEHONG BIO provides custom synthesis services for Deloxolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.