巨大戟醇甲基丁烯酸酯
TL;DR: 巨大戟醇甲基丁烯酸酯 (CAS 873398-67-5) is a chemical compound with molecular formula C25H34O6 and molecular weight 430.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
巨大戟醇甲基丁烯酸酯
[(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate
Also Known As: Ingenol mebutate, Ingenol 3-angelate, Picato, Ingenol-3-angelate, 3-Angeloylingenol
| Molecular Formula | C25H34O6 |
|---|---|
| Molecular Weight | 430.24 g/mol |
| LogP | 2.3323 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 430.23553 |
| Heavy Atoms | 31 |
| Complexity | 926.2967 |
Chemical Identifiers
| CAS Number | 873398-67-5 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)CO)O)O)C |
Product Overview
巨大戟醇甲基丁烯酸酯 (CAS 873398-67-5), with molecular formula C25H34O6 and molecular weight 430.24 g/mol. IUPAC: [(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate.
Chemical Property Profile of 巨大戟醇甲基丁烯酸酯
Property Insights of 巨大戟醇甲基丁烯酸酯
The XLogP value of 2.3323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 巨大戟醇甲基丁烯酸酯. The TPSA of 104.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 巨大戟醇甲基丁烯酸酯. Following Lipinski's Rule of Five, 巨大戟醇甲基丁烯酸酯 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 巨大戟醇甲基丁烯酸酯?
The CAS number of 巨大戟醇甲基丁烯酸酯 is 873398-67-5.
What is the molecular formula of 巨大戟醇甲基丁烯酸酯?
The molecular formula of 巨大戟醇甲基丁烯酸酯 is C25H34O6.
What is the molecular weight of 巨大戟醇甲基丁烯酸酯?
The molecular weight of 巨大戟醇甲基丁烯酸酯 is 430.24 g/mol.
Where can I buy 巨大戟醇甲基丁烯酸酯?
You can request a quote for 巨大戟醇甲基丁烯酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 巨大戟醇甲基丁烯酸酯?
Yes, KEHONG BIO provides custom synthesis services for 巨大戟醇甲基丁烯酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.