4'-Methylangelicin-thymine-3,4-photocylcloadduct
TL;DR: 4'-Methylangelicin-thymine-3,4-photocylcloadduct (CAS 118122-53-5) is a chemical compound with molecular formula C17H14N2O5 and molecular weight 326.09027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8,14-dimethyl-11,16-dioxa-4,6-diazapentacyclo[10.7.0.02,9.03,8.013,17]nonadeca-1(12),13(17),14,18-tetraene-5,7,10-trione
Also Known As: 4'-Mat-3,4-adduct, 4'-Methylangelicin-thymine-3,4-photocylcloadduct, 4/'-methylangelicin-thymine-3,4-photocylcloadduct, 5H-Furo(2'',3'':7',8')(1)benzopyrano(3',4':3,4)cyclobuta(1,2-d)pyrimidine-5,6,8(5bH,7H)-trione, 5a,9,9a,9b-tetrahydro-3-methyl-, (5aalpha,5balpha,9aalpha,9balpha)-, 5H-Furo[2'',3'':7',8'][1]benzopyrano[3',4':3,4]cyclobuta[1,2-d]pyrimidine-5,6,8(5bH,7H)-trione, 5a,9,9a,9b-tetrahydro-3-methyl-, (5aalpha,5balpha,9aalpha,9balpha)-
Technical Specifications
| Molecular Formula | C17H14N2O5 |
| Molecular Weight | 326.09027 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 97.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 326.09027 Da |
| Heavy Atoms | 24 |
| Complexity | 651.0 |
| SMILES | CC1=COC2=C1C3=C(C=C2)C4C(C(=O)O3)C5(C4NC(=O)NC5=O)C |
| InChIKey | OSHACCFKKXSZHP-UHFFFAOYSA-N |
Chemical Property Profile of 4'-Methylangelicin-thymine-3,4-photocylcloadduct
Property Insights of 4'-Methylangelicin-thymine-3,4-photocylcloadduct
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Methylangelicin-thymine-3,4-photocylcloadduct. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Methylangelicin-thymine-3,4-photocylcloadduct. Following Lipinski's Rule of Five, 4'-Methylangelicin-thymine-3,4-photocylcloadduct has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4'-Methylangelicin-thymine-3,4-photocylcloadduct?
The CAS number of 4'-Methylangelicin-thymine-3,4-photocylcloadduct is 118122-53-5.
What is the molecular formula of 4'-Methylangelicin-thymine-3,4-photocylcloadduct?
The molecular formula of 4'-Methylangelicin-thymine-3,4-photocylcloadduct is C17H14N2O5.
What is the molecular weight of 4'-Methylangelicin-thymine-3,4-photocylcloadduct?
The molecular weight of 4'-Methylangelicin-thymine-3,4-photocylcloadduct is 326.09027 g/mol.
Where can I buy 4'-Methylangelicin-thymine-3,4-photocylcloadduct?
You can request a quote for 4'-Methylangelicin-thymine-3,4-photocylcloadduct directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-Methylangelicin-thymine-3,4-photocylcloadduct?
Yes, CoreyChem provides custom synthesis services for 4'-Methylangelicin-thymine-3,4-photocylcloadduct and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.