Methylepoxyproscillaridin
TL;DR: Methylepoxyproscillaridin (CAS 116387-44-1) is a chemical compound with molecular formula C31H44O9 and molecular weight 560.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-(3,5-dihydroxy-4-methoxy-4-methyloxan-2-yl)oxy-12-hydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-15-yl]pyran-2-one
Also Known As: Methylepoxyproscillaridin, 14-Hydroxy-3-[(3-C-methyl-3-O-methylpentopyranosyl)oxy]-4,5-epoxybufa-20,22-dienolide
| Molecular Formula | C31H44O9 |
|---|---|
| Molecular Weight | 560.30 g/mol |
| LogP | 2.8807 |
| Topological Polar Surface Area | 131.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 560.2985 |
| Heavy Atoms | 40 |
| Complexity | 1198.9365 |
Chemical Identifiers
| CAS Number | 116387-44-1 |
|---|---|
| SMILES | CC12CCC(C3C1(O3)CCC4C2CCC5(C4(CCC5C6=COC(=O)C=C6)O)C)OC7C(C(C(CO7)O)(C)OC)O |
Product Overview
Methylepoxyproscillaridin (CAS 116387-44-1), with molecular formula C31H44O9 and molecular weight 560.30 g/mol. IUPAC: 5-[5-(3,5-dihydroxy-4-methoxy-4-methyloxan-2-yl)oxy-12-hydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-15-yl]pyran-2-one.
Chemical Property Profile of Methylepoxyproscillaridin
Property Insights of Methylepoxyproscillaridin
The XLogP value of 2.8807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylepoxyproscillaridin. The TPSA of 131.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylepoxyproscillaridin. Following Lipinski's Rule of Five, Methylepoxyproscillaridin has 3 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 Methylepoxyproscillaridin?
The CAS number of Methylepoxyproscillaridin is 116387-44-1.
What is the molecular formula of Methylepoxyproscillaridin?
The molecular formula of Methylepoxyproscillaridin is C31H44O9.
What is the molecular weight of Methylepoxyproscillaridin?
The molecular weight of Methylepoxyproscillaridin is 560.30 g/mol.
Where can I buy Methylepoxyproscillaridin?
You can request a quote for Methylepoxyproscillaridin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylepoxyproscillaridin?
Yes, KEHONG BIO provides custom synthesis services for Methylepoxyproscillaridin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.