5'-O-Benzoyl-3'-deoxythymidine
TL;DR: 5'-O-Benzoyl-3'-deoxythymidine (CAS 122621-07-2) is a chemical compound with molecular formula C17H18N2O5 and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
Also Known As: ddTHd, 5'-O-Benzoyl-3'-deoxythymidine, 5'-O-benzoyl-3'-dT, 5/'-O-Benzoyl-3/'-deoxythymidine, Thymidine, 3'-deoxy-, 5'-benzoate
| Molecular Formula | C17H18N2O5 |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.12158 |
| Heavy Atoms | 24 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 122621-07-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COC(=O)C3=CC=CC=C3 |
| InChIKey | DCZVYXDBKVTNMI-UONOGXRCSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5'-O-Benzoyl-3'-deoxythymidine (CAS 122621-07-2), with molecular formula C17H18N2O5 and molecular weight 330.12 g/mol. IUPAC: [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate.
Chemical Property Profile of 5'-O-Benzoyl-3'-deoxythymidine
Property Insights of 5'-O-Benzoyl-3'-deoxythymidine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-O-Benzoyl-3'-deoxythymidine. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-O-Benzoyl-3'-deoxythymidine. Following Lipinski's Rule of Five, 5'-O-Benzoyl-3'-deoxythymidine has 1 hydrogen bond donor(s) and 5 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 5'-O-Benzoyl-3'-deoxythymidine?
The CAS number of 5'-O-Benzoyl-3'-deoxythymidine is 122621-07-2.
What is the molecular formula of 5'-O-Benzoyl-3'-deoxythymidine?
The molecular formula of 5'-O-Benzoyl-3'-deoxythymidine is C17H18N2O5.
What is the molecular weight of 5'-O-Benzoyl-3'-deoxythymidine?
The molecular weight of 5'-O-Benzoyl-3'-deoxythymidine is 330.12 g/mol.
Where can I buy 5'-O-Benzoyl-3'-deoxythymidine?
You can request a quote for 5'-O-Benzoyl-3'-deoxythymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-O-Benzoyl-3'-deoxythymidine?
Yes, KEHONG BIO provides custom synthesis services for 5'-O-Benzoyl-3'-deoxythymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.