1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine
TL;DR: 1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine (CAS 136035-10-4) is a chemical compound with molecular formula C21H21N3O7 and molecular weight 427.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-1-[(2R,3R,5S)-3-(1,3-dioxoisoindol-2-yl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl] acetate
Also Known As: L-Acosamine nucleoside, 1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine, 2-4(1H,3H)-Pyrimidinedione, 1-(5-O-acetyl-2,3,6-trideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-beta-L-ribo-hexofuranosyl)-5-methyl-, 1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-.beta.-L-ribo-hexofuranosyl)thymine, [(1S)-1-[(2R,3R,5S)-3-(1,3-dioxoisoindol-2-yl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl] acetate
| Molecular Formula | C21H21N3O7 |
|---|---|
| Molecular Weight | 427.14 g/mol |
| LogP | 0.74892 |
| Topological Polar Surface Area | 127.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.13794 |
| Heavy Atoms | 31 |
| Complexity | 1162.945 |
Chemical Identifiers
| CAS Number | 136035-10-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)[C@H](C)OC(=O)C)N3C(=O)C4=CC=CC=C4C3=O |
Product Overview
1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine (CAS 136035-10-4), with molecular formula C21H21N3O7 and molecular weight 427.14 g/mol. IUPAC: [(1S)-1-[(2R,3R,5S)-3-(1,3-dioxoisoindol-2-yl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl] acetate.
Chemical Property Profile of 1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine
Property Insights of 1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine
The XLogP value of 0.74892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine. The TPSA of 127.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine. Following Lipinski's Rule of Five, 1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine has 1 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 1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine?
The CAS number of 1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine is 136035-10-4.
What is the molecular formula of 1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine?
The molecular formula of 1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine is C21H21N3O7.
What is the molecular weight of 1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine?
The molecular weight of 1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine is 427.14 g/mol.
Where can I buy 1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine?
You can request a quote for 1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-O-Acetyl-3-phthalimido-2,3,6-trideoxy-beta-L-ribo-hexofuranosyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.