11,12-Epoxypukalide
TL;DR: 11,12-Epoxypukalide (CAS 95925-22-7) is a chemical compound with molecular formula C21H24O7 and molecular weight 388.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,4S,10R,12S,14R,15R)-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-7-carboxylate
Also Known As: 11,12-Epoxypukalide, Epoxypukalide, 11beta,12beta-Epoxypukalide, (-)-11beta,12beta-Epoxypukalide, J1.201.472D
| Molecular Formula | C21H24O7 |
|---|---|
| Molecular Weight | 388.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 90.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.1522 |
| Heavy Atoms | 28 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 95925-22-7 |
|---|---|
| SMILES | CC(=C)[C@H]1CC[C@]23[C@H](O2)[C@@H](C[C@]4([C@@H](O4)C5=CC(=C(C1)O5)C(=O)OC)C)OC3=O |
| InChIKey | QKPWPHBMPBPNMQ-FELIULDUSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
11,12-Epoxypukalide (CAS 95925-22-7), with molecular formula C21H24O7 and molecular weight 388.15 g/mol. IUPAC: methyl (1R,4S,10R,12S,14R,15R)-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-7-carboxylate.
Chemical Property Profile of 11,12-Epoxypukalide
Property Insights of 11,12-Epoxypukalide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11,12-Epoxypukalide. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 11,12-Epoxypukalide. Following Lipinski's Rule of Five, 11,12-Epoxypukalide has 0 hydrogen bond donor(s) and 7 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 11,12-Epoxypukalide?
The CAS number of 11,12-Epoxypukalide is 95925-22-7.
What is the molecular formula of 11,12-Epoxypukalide?
The molecular formula of 11,12-Epoxypukalide is C21H24O7.
What is the molecular weight of 11,12-Epoxypukalide?
The molecular weight of 11,12-Epoxypukalide is 388.15 g/mol.
Where can I buy 11,12-Epoxypukalide?
You can request a quote for 11,12-Epoxypukalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11,12-Epoxypukalide?
Yes, KEHONG BIO provides custom synthesis services for 11,12-Epoxypukalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.