树脂毒素
TL;DR: 树脂毒素 (CAS 57444-62-9) is a chemical compound with molecular formula C37H40O9 and molecular weight 628.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
树脂毒素
[(1R,2R,6R,10S,11R,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate
Also Known As: Resiniferatoxin, Reciniferatoxin, 20085-EP2308848A1, 20085-EP2314585A1, RTX
| Molecular Formula | C37H40O9 |
|---|---|
| Molecular Weight | 628.27 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 628.2672 |
| Heavy Atoms | 46 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 57444-62-9 |
|---|---|
| SMILES | C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)CC6=CC(=C(C=C6)O)OC)O)C)OC(O3)(O2)CC7=CC=CC=C7)C(=C)C |
| InChIKey | DSDNAKHZNJAGHN-IHCAYWNCSA-N |
Product Overview
树脂毒素 (CAS 57444-62-9), with molecular formula C37H40O9 and molecular weight 628.27 g/mol. IUPAC: [(1R,2R,6R,10S,11R,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate.
Chemical Property Profile of 树脂毒素
Property Insights of 树脂毒素
The XLogP value of 4.5 indicates that 树脂毒素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 树脂毒素. Following Lipinski's Rule of Five, 树脂毒素 has 2 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 树脂毒素?
The CAS number of 树脂毒素 is 57444-62-9.
What is the molecular formula of 树脂毒素?
The molecular formula of 树脂毒素 is C37H40O9.
What is the molecular weight of 树脂毒素?
The molecular weight of 树脂毒素 is 628.27 g/mol.
Where can I buy 树脂毒素?
You can request a quote for 树脂毒素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 树脂毒素?
Yes, KEHONG BIO provides custom synthesis services for 树脂毒素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.