棋盘花辛碱
TL;DR: 棋盘花辛碱 (CAS 2777-79-9) is a chemical compound with molecular formula C29H45NO8 and molecular weight 535.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
棋盘花辛碱
[(2S,6S,9S,10S,11R,19S)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] acetate
Also Known As: Zygacine, Cevane-3beta,4beta,14,15alpha,16beta,20-hexol, 4,9-epoxy-, 3-acetate, Cevane-3.beta.,4.beta.,14,15.alpha.,16.beta.,20-hexol, 4,9-epoxy-, 3-acetate, Cevane-3,4,14,15,16,20-hexol, 4,9-epoxy-, 3-acetate, (3.beta.,4.alpha.,15.alpha.,16.beta.)-
| Molecular Formula | C29H45NO8 |
|---|---|
| Molecular Weight | 535.31 g/mol |
| LogP | 0.7859 |
| Topological Polar Surface Area | 139.92 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 535.3145 |
| Heavy Atoms | 38 |
| Complexity | 1038.0483 |
Chemical Identifiers
| CAS Number | 2777-79-9 |
|---|---|
| SMILES | C[C@H]1CC[C@H]2[C@@]([C@@H]3[C@@H](CN2C1)C4CC56C(C4(C(C3O)O)O)CCC7[C@@]5(CCC(C7(O6)O)OC(=O)C)C)(C)O |
Product Overview
棋盘花辛碱 (CAS 2777-79-9), with molecular formula C29H45NO8 and molecular weight 535.31 g/mol. IUPAC: [(2S,6S,9S,10S,11R,19S)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] acetate.
Chemical Property Profile of 棋盘花辛碱
Property Insights of 棋盘花辛碱
The XLogP value of 0.7859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 棋盘花辛碱. The TPSA of 139.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 棋盘花辛碱. Following Lipinski's Rule of Five, 棋盘花辛碱 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 棋盘花辛碱?
The CAS number of 棋盘花辛碱 is 2777-79-9.
What is the molecular formula of 棋盘花辛碱?
The molecular formula of 棋盘花辛碱 is C29H45NO8.
What is the molecular weight of 棋盘花辛碱?
The molecular weight of 棋盘花辛碱 is 535.31 g/mol.
Where can I buy 棋盘花辛碱?
You can request a quote for 棋盘花辛碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 棋盘花辛碱?
Yes, KEHONG BIO provides custom synthesis services for 棋盘花辛碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.