4-甲基伞形酮胸苷3'-磷酸酯
TL;DR: 4-甲基伞形酮胸苷3'-磷酸酯 (CAS 80180-70-7) is a chemical compound with molecular formula C20H21N2O10P and molecular weight 480.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基伞形酮胸苷3'-磷酸酯
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-methyl-2-oxochromen-7-yl) hydrogen phosphate
Also Known As: 4MUpT, 4-Mut-5-P, 4-Methylumbelliferyl 3-thymidylate, 4-Methylumbelliferyl thymidine 3'-phosphate, 4-methylumbelliferylthymidine5'-phosphate
| Molecular Formula | C20H21N2O10P |
|---|---|
| Molecular Weight | 480.09 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.09338 |
| Heavy Atoms | 33 |
| Complexity | 949.0 |
Chemical Identifiers
| CAS Number | 80180-70-7 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O |
| InChIKey | GOWFYSOFDDXKLK-USXIJHARSA-N |
Product Overview
4-甲基伞形酮胸苷3'-磷酸酯 (CAS 80180-70-7), with molecular formula C20H21N2O10P and molecular weight 480.09 g/mol. IUPAC: [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-methyl-2-oxochromen-7-yl) hydrogen phosphate.
Chemical Property Profile of 4-甲基伞形酮胸苷3'-磷酸酯
Property Insights of 4-甲基伞形酮胸苷3'-磷酸酯
The XLogP value of -0.3 indicates that 4-甲基伞形酮胸苷3'-磷酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting 4-甲基伞形酮胸苷3'-磷酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-甲基伞形酮胸苷3'-磷酸酯 has 3 hydrogen bond donor(s) and 10 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 4-甲基伞形酮胸苷3'-磷酸酯?
The CAS number of 4-甲基伞形酮胸苷3'-磷酸酯 is 80180-70-7.
What is the molecular formula of 4-甲基伞形酮胸苷3'-磷酸酯?
The molecular formula of 4-甲基伞形酮胸苷3'-磷酸酯 is C20H21N2O10P.
What is the molecular weight of 4-甲基伞形酮胸苷3'-磷酸酯?
The molecular weight of 4-甲基伞形酮胸苷3'-磷酸酯 is 480.09 g/mol.
Where can I buy 4-甲基伞形酮胸苷3'-磷酸酯?
You can request a quote for 4-甲基伞形酮胸苷3'-磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基伞形酮胸苷3'-磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基伞形酮胸苷3'-磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.