Thymidine 5'-phospho-alpha-naphthylamidate
TL;DR: Thymidine 5'-phospho-alpha-naphthylamidate (CAS 5469-00-1) is a chemical compound with molecular formula C20H22N3O7P and molecular weight 447.12 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]methoxy-N-naphthalen-1-ylphosphonamidic acid
Also Known As: Thymidine 5'-phospho-alpha-naphthylamidate, Thymidine, 5'-(hydrogen 1-naphthalenylphosphoramidate), 5'-o-[hydroxy(naphthalen-1-ylamino)phosphoryl]thymidine, [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-naphthalen-1-ylphosphonamidic acid, 1-(2-Deoxy-5-O-{hydroxy[(naphthalen-1-yl)amino]phosphoryl}-beta-D-erythro-pentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one
| Molecular Formula | C20H22N3O7P |
|---|---|
| Molecular Weight | 447.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.11954 |
| Heavy Atoms | 31 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 5469-00-1 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NC3=CC=CC4=CC=CC=C43)O)O |
| InChIKey | YPQRFEFTZWDVDH-RCCFBDPRSA-N |
Product Overview
Thymidine 5'-phospho-alpha-naphthylamidate (CAS 5469-00-1), with molecular formula C20H22N3O7P and molecular weight 447.12 g/mol. IUPAC: [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-naphthalen-1-ylphosphonamidic acid.
Chemical Property Profile of Thymidine 5'-phospho-alpha-naphthylamidate
Property Insights of Thymidine 5'-phospho-alpha-naphthylamidate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thymidine 5'-phospho-alpha-naphthylamidate. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine 5'-phospho-alpha-naphthylamidate. Following Lipinski's Rule of Five, Thymidine 5'-phospho-alpha-naphthylamidate has 4 hydrogen bond donor(s) and 8 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 Thymidine 5'-phospho-alpha-naphthylamidate?
The CAS number of Thymidine 5'-phospho-alpha-naphthylamidate is 5469-00-1.
What is the molecular formula of Thymidine 5'-phospho-alpha-naphthylamidate?
The molecular formula of Thymidine 5'-phospho-alpha-naphthylamidate is C20H22N3O7P.
What is the molecular weight of Thymidine 5'-phospho-alpha-naphthylamidate?
The molecular weight of Thymidine 5'-phospho-alpha-naphthylamidate is 447.12 g/mol.
Where can I buy Thymidine 5'-phospho-alpha-naphthylamidate?
You can request a quote for Thymidine 5'-phospho-alpha-naphthylamidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine 5'-phospho-alpha-naphthylamidate?
Yes, KEHONG BIO provides custom synthesis services for Thymidine 5'-phospho-alpha-naphthylamidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.