Daphnetoxin,12-hydroxy
TL;DR: Daphnetoxin,12-hydroxy (CAS 35302-50-2) is a chemical compound with molecular formula C27H30O9 and molecular weight 498.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7,17-trihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one
Also Known As: 12-Hydroxydaphnetoxin, DAPHNETOXIN,12-HYDROXY, Daphnetoxin, 12-hydroxy-, 6H-2,8b-Epoxyoxireno(6,7)azuleno(5,4-e)-1,3-benzodioxol-6-one, 3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a,10-trihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-phenyl-, 5,5a,10-Trihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-2-phenyl-10a-(prop-1-en-2-yl)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-2H,6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e][1,3]benzodioxol-6-one
| Molecular Formula | C27H30O9 |
|---|---|
| Molecular Weight | 498.19 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.189 |
| Heavy Atoms | 36 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 35302-50-2 |
|---|---|
| SMILES | CC1C(C2(C3C4C1(C5C=C(C(=O)C5(C(C6(C4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C)O |
| InChIKey | ATCCMDINGQUBOE-UHFFFAOYSA-N |
Product Overview
Daphnetoxin,12-hydroxy (CAS 35302-50-2), with molecular formula C27H30O9 and molecular weight 498.19 g/mol. IUPAC: 6,7,17-trihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one.
Chemical Property Profile of Daphnetoxin,12-hydroxy
Property Insights of Daphnetoxin,12-hydroxy
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Daphnetoxin,12-hydroxy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Daphnetoxin,12-hydroxy. Following Lipinski's Rule of Five, Daphnetoxin,12-hydroxy has 4 hydrogen bond donor(s) and 9 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 Daphnetoxin,12-hydroxy?
The CAS number of Daphnetoxin,12-hydroxy is 35302-50-2.
What is the molecular formula of Daphnetoxin,12-hydroxy?
The molecular formula of Daphnetoxin,12-hydroxy is C27H30O9.
What is the molecular weight of Daphnetoxin,12-hydroxy?
The molecular weight of Daphnetoxin,12-hydroxy is 498.19 g/mol.
Where can I buy Daphnetoxin,12-hydroxy?
You can request a quote for Daphnetoxin,12-hydroxy directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daphnetoxin,12-hydroxy?
Yes, KEHONG BIO provides custom synthesis services for Daphnetoxin,12-hydroxy and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.