DEHYDROBRUCEANTIN
TL;DR: DEHYDROBRUCEANTIN (CAS 53662-98-9) is a chemical compound with molecular formula C28H34O11 and molecular weight 546.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3,4-dimethylpent-2-enoyloxy)-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate
Also Known As: DEHYDROBRUCEANTIN
| Molecular Formula | C28H34O11 |
|---|---|
| Molecular Weight | 546.21 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 546.2101 |
| Heavy Atoms | 39 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 53662-98-9 |
|---|---|
| SMILES | CC1=C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(C(C(C5C2(C=C(C1=O)O)C)O)O)C(=O)OC |
| InChIKey | ZLLWLVCJZCJECL-UHFFFAOYSA-N |
Product Overview
DEHYDROBRUCEANTIN (CAS 53662-98-9), with molecular formula C28H34O11 and molecular weight 546.21 g/mol. IUPAC: methyl 3-(3,4-dimethylpent-2-enoyloxy)-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate.
Chemical Property Profile of DEHYDROBRUCEANTIN
Property Insights of DEHYDROBRUCEANTIN
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DEHYDROBRUCEANTIN. The TPSA of 166.0 Ų indicates high polarity, suggesting DEHYDROBRUCEANTIN may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DEHYDROBRUCEANTIN 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 DEHYDROBRUCEANTIN?
The CAS number of DEHYDROBRUCEANTIN is 53662-98-9.
What is the molecular formula of DEHYDROBRUCEANTIN?
The molecular formula of DEHYDROBRUCEANTIN is C28H34O11.
What is the molecular weight of DEHYDROBRUCEANTIN?
The molecular weight of DEHYDROBRUCEANTIN is 546.21 g/mol.
Where can I buy DEHYDROBRUCEANTIN?
You can request a quote for DEHYDROBRUCEANTIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DEHYDROBRUCEANTIN?
Yes, KEHONG BIO provides custom synthesis services for DEHYDROBRUCEANTIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.