Deglucomusennin
TL;DR: Deglucomusennin (CAS 25426-60-2) is a chemical compound with molecular formula C45H72O16 and molecular weight 868.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[3-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Deglucomusennin, KST-1A3175, 5-chloro-4-hydroxybenzene-1,3-disulfonyl difluoride, (3, A,16
| Molecular Formula | C45H72O16 |
|---|---|
| Molecular Weight | 868.48 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 255.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 868.48206 |
| Heavy Atoms | 61 |
| Complexity | 1670.0 |
Chemical Identifiers
| CAS Number | 25426-60-2 |
|---|---|
| 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)C)OC6C(C(C(CO6)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O |
| InChIKey | TVXISIJXIXGTQS-YPDZYSHISA-N |
Product Overview
Deglucomusennin (CAS 25426-60-2), with molecular formula C45H72O16 and molecular weight 868.48 g/mol. IUPAC: (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[3-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of Deglucomusennin
Property Insights of Deglucomusennin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deglucomusennin. The TPSA of 255.0 Ų indicates high polarity, suggesting Deglucomusennin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deglucomusennin has 9 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deglucomusennin?
The CAS number of Deglucomusennin is 25426-60-2.
What is the molecular formula of Deglucomusennin?
The molecular formula of Deglucomusennin is C45H72O16.
What is the molecular weight of Deglucomusennin?
The molecular weight of Deglucomusennin is 868.48 g/mol.
Where can I buy Deglucomusennin?
You can request a quote for Deglucomusennin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deglucomusennin?
Yes, KEHONG BIO provides custom synthesis services for Deglucomusennin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.