Caulophyllogenin
TL;DR: Caulophyllogenin (CAS 52936-64-8) is a chemical compound with molecular formula C30H48O5 and molecular weight 488.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,5R,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-5,10-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Caulophyllogenin, Segetalic acid, KST-1A5572, HY-N7687, (4aR,5R,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-5,10-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
| Molecular Formula | C30H48O5 |
|---|---|
| Molecular Weight | 488.35 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 488.3502 |
| Heavy Atoms | 35 |
| Complexity | 941.0 |
Chemical Identifiers
| CAS Number | 52936-64-8 |
|---|---|
| SMILES | C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)CO)O |
| InChIKey | FABOBEOYNMHSHB-UAWZMHPWSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Caulophyllogenin (CAS 52936-64-8), with molecular formula C30H48O5 and molecular weight 488.35 g/mol. IUPAC: (4aR,5R,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-5,10-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of Caulophyllogenin
Property Insights of Caulophyllogenin
The XLogP value of 6.2 indicates that Caulophyllogenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Caulophyllogenin. Following Lipinski's Rule of Five, Caulophyllogenin has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Caulophyllogenin?
The CAS number of Caulophyllogenin is 52936-64-8.
What is the molecular formula of Caulophyllogenin?
The molecular formula of Caulophyllogenin is C30H48O5.
What is the molecular weight of Caulophyllogenin?
The molecular weight of Caulophyllogenin is 488.35 g/mol.
Where can I buy Caulophyllogenin?
You can request a quote for Caulophyllogenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caulophyllogenin?
Yes, KEHONG BIO provides custom synthesis services for Caulophyllogenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.