Aphanastatin
TL;DR: Aphanastatin (CAS 66700-76-3) is a chemical compound with molecular formula C35H46O13 and molecular weight 674.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[19,21-diacetyloxy-6-(furan-3-yl)-4,12,20-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate
Also Known As: APHANASTATIN, trichilin E, 1,3-Bis(acetyloxy)-9-(furan-3-yl)-2,6,10-trihydroxy-4,6a,9a-trimethyl-11-oxotetradecahydro-1H-4,11b-(methanooxymethano)naphtho[1',2':6,7]indeno[1,7a-b]oxiren-14-yl 2-methylbutanoate, RefChem:113313
| Molecular Formula | C35H46O13 |
|---|---|
| Molecular Weight | 674.29 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 674.2938 |
| Heavy Atoms | 48 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 66700-76-3 |
|---|---|
| SMILES | CCC(C)C(=O)OC1C2(C3CC(C4(C(C3(CO1)C(C(C2OC(=O)C)O)OC(=O)C)C(=O)C(C5(C46C(O6)CC5C7=COC=C7)C)O)C)O)C |
| InChIKey | QPMNKWBNXWESEZ-UHFFFAOYSA-N |
Product Overview
Aphanastatin (CAS 66700-76-3), with molecular formula C35H46O13 and molecular weight 674.29 g/mol. IUPAC: [19,21-diacetyloxy-6-(furan-3-yl)-4,12,20-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate.
Chemical Property Profile of Aphanastatin
Property Insights of Aphanastatin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aphanastatin. The TPSA of 192.0 Ų indicates high polarity, suggesting Aphanastatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aphanastatin 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 Aphanastatin?
The CAS number of Aphanastatin is 66700-76-3.
What is the molecular formula of Aphanastatin?
The molecular formula of Aphanastatin is C35H46O13.
What is the molecular weight of Aphanastatin?
The molecular weight of Aphanastatin is 674.29 g/mol.
Where can I buy Aphanastatin?
You can request a quote for Aphanastatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aphanastatin?
Yes, KEHONG BIO provides custom synthesis services for Aphanastatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.