Hederagenin 3,23-acetonide
TL;DR: Hederagenin 3,23-acetonide (CAS 60684-64-2) is a chemical compound with molecular formula C33H52O4 and molecular weight 512.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,5S,10R,11R,14R,15S,18S,23R)-2,7,7,10,14,15,21,21-octamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacos-24-ene-18-carboxylic acid
Also Known As: Hederagenin acetonide, Hederagenin 3,23-acetonide, 3,23-O-isopropylidene hederagenin, NCI60_024875, (4ar,4br,6ar,6bs,8as,12ar,14ar,14br,16as)-2,2,4a,6a,6b,11,11,14b-octamethyl-4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a,14b,15,16,16a-octadecahydro-4h-piceno[3,4-d][1,3]dioxine-8a(4bh)-carboxylic acid
| Molecular Formula | C33H52O4 |
|---|---|
| Molecular Weight | 512.39 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 512.38654 |
| Heavy Atoms | 37 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 60684-64-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@]([C@@H]1CC[C@@]4([C@@H]2CC=C5[C@]4(CC[C@@]6([C@@H]5CC(CC6)(C)C)C(=O)O)C)C)(COC(O3)(C)C)C |
| InChIKey | GZTXRAOZNVKIDQ-YYRIWJFKSA-N |
Product Overview
Hederagenin 3,23-acetonide (CAS 60684-64-2), with molecular formula C33H52O4 and molecular weight 512.39 g/mol. IUPAC: (1R,2R,5S,10R,11R,14R,15S,18S,23R)-2,7,7,10,14,15,21,21-octamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacos-24-ene-18-carboxylic acid.
Chemical Property Profile of Hederagenin 3,23-acetonide
Property Insights of Hederagenin 3,23-acetonide
The XLogP value of 7.8 indicates that Hederagenin 3,23-acetonide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Hederagenin 3,23-acetonide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hederagenin 3,23-acetonide has 1 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 Hederagenin 3,23-acetonide?
The CAS number of Hederagenin 3,23-acetonide is 60684-64-2.
What is the molecular formula of Hederagenin 3,23-acetonide?
The molecular formula of Hederagenin 3,23-acetonide is C33H52O4.
What is the molecular weight of Hederagenin 3,23-acetonide?
The molecular weight of Hederagenin 3,23-acetonide is 512.39 g/mol.
Where can I buy Hederagenin 3,23-acetonide?
You can request a quote for Hederagenin 3,23-acetonide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hederagenin 3,23-acetonide?
Yes, KEHONG BIO provides custom synthesis services for Hederagenin 3,23-acetonide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.