Neogermitrine
TL;DR: Neogermitrine (CAS 508-66-7) is a chemical compound with molecular formula C36H55NO11 and molecular weight 677.38 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)-16,22-diacetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] (2R)-2-methylbutanoate
Also Known As: Neogermitrine, 3,7-Bis(acetyloxy)-4,14,16,20-tetrahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate, (5xi,9xi,14xi)-3beta,7alpha-Bis(acetyloxy)-4alpha,14,16beta,20-tetrahydroxy-4,9-epoxycevan-15alpha-yl (2R)-2-methylbutanoate
| Molecular Formula | C36H55NO11 |
|---|---|
| Molecular Weight | 677.38 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 677.3775 |
| Heavy Atoms | 48 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 508-66-7 |
|---|---|
| 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)O)C)OC(=O)C)O)O |
| InChIKey | ZRZLKBPAQMKVJY-XVLBHNOVSA-N |
Product Overview
Neogermitrine (CAS 508-66-7), with molecular formula C36H55NO11 and molecular weight 677.38 g/mol. IUPAC: [(1S,2S,6S,9S,10S,11R,12R,13S,15S,16R,19S,22S,23S)-16,22-diacetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] (2R)-2-methylbutanoate.
Chemical Property Profile of Neogermitrine
Property Insights of Neogermitrine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neogermitrine. The TPSA of 172.0 Ų indicates high polarity, suggesting Neogermitrine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neogermitrine has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neogermitrine?
The CAS number of Neogermitrine is 508-66-7.
What is the molecular formula of Neogermitrine?
The molecular formula of Neogermitrine is C36H55NO11.
What is the molecular weight of Neogermitrine?
The molecular weight of Neogermitrine is 677.38 g/mol.
Where can I buy Neogermitrine?
You can request a quote for Neogermitrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neogermitrine?
Yes, KEHONG BIO provides custom synthesis services for Neogermitrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.