Ilexolide A
TL;DR: Ilexolide A (CAS 85344-31-6) is a chemical compound with molecular formula C35H54O7 and molecular weight 586.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aR)-10-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid
Also Known As: Ilexolide A, (2S,4aS,6aR,6aS,6bR,8aR,10S,12aR)-10-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid, (2S,4aS,6aR,6aS,6bR,8aR,10S,12aR)-10-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid, 3beta-(beta-D-Xylofuranosyloxy)-20beta-ursa-12,18-dien-28-oic acid, (2S,4aS,6aR,6aS,6bR,8aR,10S,12aR)-10-((2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid
| Molecular Formula | C35H54O7 |
|---|---|
| Molecular Weight | 586.39 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 586.38696 |
| Heavy Atoms | 42 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 85344-31-6 |
|---|---|
| SMILES | C[C@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@H](O6)CO)O)O)C)C)C2=C1C)C)C(=O)O |
| InChIKey | FHYVXROQJGJCKH-GBYWDZGLSA-N |
Product Overview
Ilexolide A (CAS 85344-31-6), with molecular formula C35H54O7 and molecular weight 586.39 g/mol. IUPAC: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aR)-10-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid.
Chemical Property Profile of Ilexolide A
Property Insights of Ilexolide A
The XLogP value of 5.5 indicates that Ilexolide A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ilexolide A. Following Lipinski's Rule of Five, Ilexolide A has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ilexolide A?
The CAS number of Ilexolide A is 85344-31-6.
What is the molecular formula of Ilexolide A?
The molecular formula of Ilexolide A is C35H54O7.
What is the molecular weight of Ilexolide A?
The molecular weight of Ilexolide A is 586.39 g/mol.
Where can I buy Ilexolide A?
You can request a quote for Ilexolide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ilexolide A?
Yes, KEHONG BIO provides custom synthesis services for Ilexolide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.