Holothurinogenin
TL;DR: Holothurinogenin (CAS 25495-63-0) is a chemical compound with molecular formula C30H46O4 and molecular weight 470.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6S,9R,13S,16S,18R)-5,16-dihydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(20),11-dien-8-one
Also Known As: Holothurinogenin, Nobilisidenol A, GuanidinePhosphate, KST-1A3657, holosta-7,9-diene-3
| Molecular Formula | C30H46O4 |
|---|---|
| Molecular Weight | 470.34 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.3396 |
| Heavy Atoms | 34 |
| Complexity | 961.0 |
Chemical Identifiers
| CAS Number | 25495-63-0 |
|---|---|
| SMILES | CC(C)CCC[C@]1([C@]2(CC[C@@]3([C@@]2(CC=C4C3=CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C(=O)O1)C)O)C |
| InChIKey | NDXCQFYDQPZSKS-WBLNUXJMSA-N |
Product Overview
Holothurinogenin (CAS 25495-63-0), with molecular formula C30H46O4 and molecular weight 470.34 g/mol. IUPAC: (2S,5R,6S,9R,13S,16S,18R)-5,16-dihydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(20),11-dien-8-one.
Chemical Property Profile of Holothurinogenin
Property Insights of Holothurinogenin
The XLogP value of 5.5 indicates that Holothurinogenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Holothurinogenin. Following Lipinski's Rule of Five, Holothurinogenin has 2 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 Holothurinogenin?
The CAS number of Holothurinogenin is 25495-63-0.
What is the molecular formula of Holothurinogenin?
The molecular formula of Holothurinogenin is C30H46O4.
What is the molecular weight of Holothurinogenin?
The molecular weight of Holothurinogenin is 470.34 g/mol.
Where can I buy Holothurinogenin?
You can request a quote for Holothurinogenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Holothurinogenin?
Yes, KEHONG BIO provides custom synthesis services for Holothurinogenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.