Thymidine, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate
TL;DR: Thymidine, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate (CAS 51247-06-4) is a chemical compound with molecular formula C11H15FN2O6S and molecular weight 322.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl methanesulfonate
Also Known As: Mesyl-FLT, Fluorinated Sugar Analog, 3'-Deoxy-3'-fluoro-5'-O-mesylthymidine, Thymidine, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate, 3'-Deoxy-3'-fluoro-5'-O-(methanesulfonyl)thymidine
| Molecular Formula | C11H15FN2O6S |
|---|---|
| Molecular Weight | 322.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.06348 |
| Heavy Atoms | 21 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 51247-06-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COS(=O)(=O)C)F |
| InChIKey | KIEUYYVPJIIRHO-DJLDLDEBSA-N |
Product Overview
Thymidine, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate (CAS 51247-06-4), with molecular formula C11H15FN2O6S and molecular weight 322.06 g/mol. IUPAC: [(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl methanesulfonate.
Chemical Property Profile of Thymidine, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate
Property Insights of Thymidine, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate
The XLogP value of -0.2 indicates that Thymidine, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate. Following Lipinski's Rule of Five, Thymidine, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate has 1 hydrogen bond donor(s) and 7 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, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate?
The CAS number of Thymidine, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate is 51247-06-4.
What is the molecular formula of Thymidine, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate?
The molecular formula of Thymidine, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate is C11H15FN2O6S.
What is the molecular weight of Thymidine, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate?
The molecular weight of Thymidine, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate is 322.06 g/mol.
Where can I buy Thymidine, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate?
You can request a quote for Thymidine, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Thymidine, 3'-deoxy-3'-fluoro-, 5'-methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.