印防己毒素
TL;DR: 印防己毒素 (CAS 124-87-8) is a chemical compound with molecular formula C30H34O13 and molecular weight 602.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
印防己毒素
(1R,3R,5S,8S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;(1R,5S,8S,13R,14R)-1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
Also Known As: Cocculin, Picrotoxinum, Cocculus, Oriental berry, Indian berry
| Molecular Formula | C30H34O13 |
|---|---|
| Molecular Weight | 602.20 g/mol |
| LogP | -0.93 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 2 |
| Exact Mass | 602.19995 |
| Heavy Atoms | 43 |
| Complexity | 1290.0 |
| Melting Point | 202.8 °C |
| Solubility | 4100 |
| Vapor Pressure | 0.00001 [mm Hg] @25 °C |
Chemical Identifiers
| CAS Number | 124-87-8 |
|---|---|
| SMILES | CC(=C)[C@@H]1C2[C@@H]3[C@@]4([C@](C1C(=O)O2)(CC5[C@]4(O5)C(=O)O3)O)C.C[C@@]12[C@H]3C4[C@H](C([C@@]1(C[C@@H]5[C@]2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O |
| InChIKey | VJKUPQSHOVKBCO-ZTYBEOBUSA-N |
Product Overview
印防己毒素 (CAS 124-87-8), with molecular formula C30H34O13 and molecular weight 602.20 g/mol. IUPAC: (1R,3R,5S,8S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;(1R,5S,8S,13R,14R)-1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione.
Chemical Property Profile of 印防己毒素
Property Insights of 印防己毒素
The XLogP value of -0.93 indicates that 印防己毒素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting 印防己毒素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 印防己毒素 has 3 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 印防己毒素?
The CAS number of 印防己毒素 is 124-87-8.
What is the molecular formula of 印防己毒素?
The molecular formula of 印防己毒素 is C30H34O13.
What is the molecular weight of 印防己毒素?
The molecular weight of 印防己毒素 is 602.20 g/mol.
Where can I buy 印防己毒素?
You can request a quote for 印防己毒素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 印防己毒素?
Yes, KEHONG BIO provides custom synthesis services for 印防己毒素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.