Neogermbudine
TL;DR: Neogermbudine (CAS 595-64-2) is a chemical compound with molecular formula C37H59NO12 and molecular weight 709.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6S,9S,10S,11R,12R,13S,15S,16R,19S,22S,23S)-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S,3R)-2,3-dihydroxy-2-methylbutanoate
Also Known As: Neogermbudine, diisopropyl-sulphone, (5xi,9xi,14xi)-4alpha,7alpha,14,16beta,20-Pentahydroxy-15alpha-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3beta-yl (2S,3R)-2,3-dihydroxy-2-methylbutanoate, Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 3-(2,3-dihydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (3beta(2S,3R),4alpha,7alpha,15alpha(R),16beta)-, RefChem:165244
| Molecular Formula | C37H59NO12 |
|---|---|
| Molecular Weight | 709.40 g/mol |
| LogP | 0.4656 |
| Topological Polar Surface Area | 206.68 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 709.40375 |
| Heavy Atoms | 50 |
| Complexity | 1389.5983 |
Chemical Identifiers
| CAS Number | 595-64-2 |
|---|---|
| SMILES | CC[C@@H](C)C(=O)O[C@H]1[C@@H]([C@H]2[C@@H](CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)[C@H]4C1([C@@H]5[C@@H](CC6[C@]7(C5(C4)O[C@@]6([C@H](CC7)OC(=O)[C@](C)([C@@H](C)O)O)O)C)O)O)O |
Product Overview
Neogermbudine (CAS 595-64-2), with molecular formula C37H59NO12 and molecular weight 709.40 g/mol. IUPAC: [(1S,2S,6S,9S,10S,11R,12R,13S,15S,16R,19S,22S,23S)-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S,3R)-2,3-dihydroxy-2-methylbutanoate.
Chemical Property Profile of Neogermbudine
Property Insights of Neogermbudine
The XLogP value of 0.4656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neogermbudine. The TPSA of 206.68 Ų indicates high polarity, suggesting Neogermbudine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neogermbudine has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neogermbudine?
The CAS number of Neogermbudine is 595-64-2.
What is the molecular formula of Neogermbudine?
The molecular formula of Neogermbudine is C37H59NO12.
What is the molecular weight of Neogermbudine?
The molecular weight of Neogermbudine is 709.40 g/mol.
Where can I buy Neogermbudine?
You can request a quote for Neogermbudine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neogermbudine?
Yes, KEHONG BIO provides custom synthesis services for Neogermbudine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.