15-(Methacryloyloxy)scirpene-3alpha,4beta-diol
TL;DR: 15-(Methacryloyloxy)scirpene-3alpha,4beta-diol (CAS 77620-50-9) is a chemical compound with molecular formula C19H26O6 and molecular weight 350.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,7R,9R,10R,11S,12S)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate
Also Known As: 15-(Methacryloyloxy)scirpene-3alpha,4beta-diol
| Molecular Formula | C19H26O6 |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.17294 |
| Heavy Atoms | 25 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 77620-50-9 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C(=C)C |
| InChIKey | LFPSPFDJFGLRED-DTAZRYTMSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
15-(Methacryloyloxy)scirpene-3alpha,4beta-diol (CAS 77620-50-9), with molecular formula C19H26O6 and molecular weight 350.17 g/mol. IUPAC: [(1S,2R,7R,9R,10R,11S,12S)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate.
Chemical Property Profile of 15-(Methacryloyloxy)scirpene-3alpha,4beta-diol
Property Insights of 15-(Methacryloyloxy)scirpene-3alpha,4beta-diol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 15-(Methacryloyloxy)scirpene-3alpha,4beta-diol. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 15-(Methacryloyloxy)scirpene-3alpha,4beta-diol. Following Lipinski's Rule of Five, 15-(Methacryloyloxy)scirpene-3alpha,4beta-diol has 2 hydrogen bond donor(s) and 6 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 15-(Methacryloyloxy)scirpene-3alpha,4beta-diol?
The CAS number of 15-(Methacryloyloxy)scirpene-3alpha,4beta-diol is 77620-50-9.
What is the molecular formula of 15-(Methacryloyloxy)scirpene-3alpha,4beta-diol?
The molecular formula of 15-(Methacryloyloxy)scirpene-3alpha,4beta-diol is C19H26O6.
What is the molecular weight of 15-(Methacryloyloxy)scirpene-3alpha,4beta-diol?
The molecular weight of 15-(Methacryloyloxy)scirpene-3alpha,4beta-diol is 350.17 g/mol.
Where can I buy 15-(Methacryloyloxy)scirpene-3alpha,4beta-diol?
You can request a quote for 15-(Methacryloyloxy)scirpene-3alpha,4beta-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15-(Methacryloyloxy)scirpene-3alpha,4beta-diol?
Yes, KEHONG BIO provides custom synthesis services for 15-(Methacryloyloxy)scirpene-3alpha,4beta-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.