鸦胆亭
TL;DR: 鸦胆亭 (CAS 41451-75-6) is a chemical compound with molecular formula C28H36O11 and molecular weight 548.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
鸦胆亭
methyl 3-(3,4-dimethylpent-2-enoyloxy)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Also Known As: Methyl 3-(3,4-dimethylpent-2-enoyloxy)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate, 2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acid deriv., methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0^{1,6.0^{2,17.0^{8,13]nonadec-9-ene-17-carboxylate, Picras-3-en-21-oic acid, 15-[(3,4-dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11.beta.,12.alpha.,15.beta.(E))-, Picras-3-en-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-
| Molecular Formula | C28H36O11 |
|---|---|
| Molecular Weight | 548.23 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 548.22577 |
| Heavy Atoms | 39 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 41451-75-6 |
|---|---|
| SMILES | CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(OC5)C(=O)OC)O)O)C)O |
| InChIKey | IRQXZTBHNKVIRL-UHFFFAOYSA-N |
Product Overview
鸦胆亭 (CAS 41451-75-6), with molecular formula C28H36O11 and molecular weight 548.23 g/mol. IUPAC: methyl 3-(3,4-dimethylpent-2-enoyloxy)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate.
Chemical Property Profile of 鸦胆亭
Property Insights of 鸦胆亭
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 鸦胆亭. The TPSA of 166.0 Ų indicates high polarity, suggesting 鸦胆亭 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 鸦胆亭 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 鸦胆亭?
The CAS number of 鸦胆亭 is 41451-75-6.
What is the molecular formula of 鸦胆亭?
The molecular formula of 鸦胆亭 is C28H36O11.
What is the molecular weight of 鸦胆亭?
The molecular weight of 鸦胆亭 is 548.23 g/mol.
Where can I buy 鸦胆亭?
You can request a quote for 鸦胆亭 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 鸦胆亭?
Yes, KEHONG BIO provides custom synthesis services for 鸦胆亭 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.