Mollugogenol A
TL;DR: Mollugogenol A (CAS 22550-76-1) is a chemical compound with molecular formula C30H52O4 and molecular weight 476.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S,5bR,9S,11aR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-4,7,9-triol
Also Known As: Mollugogenol A, Mollugogenol-A, KST-1A2869, NCI60_013147, (3
| Molecular Formula | C30H52O4 |
|---|---|
| Molecular Weight | 476.39 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 476.38657 |
| Heavy Atoms | 34 |
| Complexity | 838.0 |
Chemical Identifiers
| CAS Number | 22550-76-1 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C(C1C(C[C@@]3(C2CCC4C3(C[C@@H](C5C4(CC[C@H]5C(C)(C)O)C)O)C)C)O)(C)C)O |
| InChIKey | USLXSBTYECTZSS-PJOSVWSESA-N |
Product Overview
Mollugogenol A (CAS 22550-76-1), with molecular formula C30H52O4 and molecular weight 476.39 g/mol. IUPAC: (3R,4S,5bR,9S,11aR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-4,7,9-triol.
Chemical Property Profile of Mollugogenol A
Property Insights of Mollugogenol A
The XLogP value of 5.7 indicates that Mollugogenol A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Mollugogenol A. Following Lipinski's Rule of Five, Mollugogenol A has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mollugogenol A?
The CAS number of Mollugogenol A is 22550-76-1.
What is the molecular formula of Mollugogenol A?
The molecular formula of Mollugogenol A is C30H52O4.
What is the molecular weight of Mollugogenol A?
The molecular weight of Mollugogenol A is 476.39 g/mol.
Where can I buy Mollugogenol A?
You can request a quote for Mollugogenol A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mollugogenol A?
Yes, KEHONG BIO provides custom synthesis services for Mollugogenol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.