4-Nitrophenyl hydrogen 5'-thymidylate
TL;DR: 4-Nitrophenyl hydrogen 5'-thymidylate (CAS 98179-10-3) is a chemical compound with molecular formula C16H18N3O10P and molecular weight 443.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-nitrophenyl) hydrogen phosphate
Also Known As: PNPpT, pNP-TMP, p-nitrophenyl thymidylate, 4-nitrophenyl thymidylate, p-Nph-5'-TMP
| Molecular Formula | C16H18N3O10P |
|---|---|
| Molecular Weight | 443.07 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.07297 |
| Heavy Atoms | 30 |
| Complexity | 776.0 |
Chemical Identifiers
| CAS Number | 98179-10-3 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OC3=CC=C(C=C3)[N+](=O)[O-])O |
| InChIKey | RWOAVOYBVRQNIZ-BFHYXJOUSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl hydrogen 5'-thymidylate (CAS 98179-10-3), with molecular formula C16H18N3O10P and molecular weight 443.07 g/mol. IUPAC: [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-nitrophenyl) hydrogen phosphate.
Chemical Property Profile of 4-Nitrophenyl hydrogen 5'-thymidylate
Property Insights of 4-Nitrophenyl hydrogen 5'-thymidylate
The XLogP value of -0.6 indicates that 4-Nitrophenyl hydrogen 5'-thymidylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.0 Ų indicates high polarity, suggesting 4-Nitrophenyl hydrogen 5'-thymidylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Nitrophenyl hydrogen 5'-thymidylate 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-Nitrophenyl hydrogen 5'-thymidylate?
The CAS number of 4-Nitrophenyl hydrogen 5'-thymidylate is 98179-10-3.
What is the molecular formula of 4-Nitrophenyl hydrogen 5'-thymidylate?
The molecular formula of 4-Nitrophenyl hydrogen 5'-thymidylate is C16H18N3O10P.
What is the molecular weight of 4-Nitrophenyl hydrogen 5'-thymidylate?
The molecular weight of 4-Nitrophenyl hydrogen 5'-thymidylate is 443.07 g/mol.
Where can I buy 4-Nitrophenyl hydrogen 5'-thymidylate?
You can request a quote for 4-Nitrophenyl hydrogen 5'-thymidylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl hydrogen 5'-thymidylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl hydrogen 5'-thymidylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.