5'-Chloroacetamido-5'-deoxythymidine
TL;DR: 5'-Chloroacetamido-5'-deoxythymidine (CAS 72164-50-2) is a chemical compound with molecular formula C12H16ClN3O5 and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide
Also Known As: 5'-Cat, 5'-Chloroacetamido-5'-deoxythymidine, 5'-(2-Chloroacetamido)-5'-deoxythymidine, 5'-(2-chloro-acetylamino)-5'-deoxy-thymidine, Thymidine,5'-[(chloroacetyl)amino]-5'-deoxy- (9CI)
| Molecular Formula | C12H16ClN3O5 |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.07785 |
| Heavy Atoms | 21 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 72164-50-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)CCl)O |
| InChIKey | SNBCLPGEMZEWLU-QXFUBDJGSA-N |
Product Overview
5'-Chloroacetamido-5'-deoxythymidine (CAS 72164-50-2), with molecular formula C12H16ClN3O5 and molecular weight 317.08 g/mol. IUPAC: 2-chloro-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide.
Chemical Property Profile of 5'-Chloroacetamido-5'-deoxythymidine
Property Insights of 5'-Chloroacetamido-5'-deoxythymidine
The XLogP value of -0.5 indicates that 5'-Chloroacetamido-5'-deoxythymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Chloroacetamido-5'-deoxythymidine. Following Lipinski's Rule of Five, 5'-Chloroacetamido-5'-deoxythymidine has 3 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'-Chloroacetamido-5'-deoxythymidine?
The CAS number of 5'-Chloroacetamido-5'-deoxythymidine is 72164-50-2.
What is the molecular formula of 5'-Chloroacetamido-5'-deoxythymidine?
The molecular formula of 5'-Chloroacetamido-5'-deoxythymidine is C12H16ClN3O5.
What is the molecular weight of 5'-Chloroacetamido-5'-deoxythymidine?
The molecular weight of 5'-Chloroacetamido-5'-deoxythymidine is 317.08 g/mol.
Where can I buy 5'-Chloroacetamido-5'-deoxythymidine?
You can request a quote for 5'-Chloroacetamido-5'-deoxythymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Chloroacetamido-5'-deoxythymidine?
Yes, KEHONG BIO provides custom synthesis services for 5'-Chloroacetamido-5'-deoxythymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.