Thymidine 3',N-dimethylphosphoramidate
TL;DR: Thymidine 3',N-dimethylphosphoramidate (CAS 40652-76-4) is a chemical compound with molecular formula C12H18N3O6P and molecular weight 331.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(dimethylamino)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyrimidine-2,4-dione
Also Known As: Thymidine 3',N-dimethylphosphoramidate, Thymidine,5'-(dimethylphosphoramidate), Thymidine, cyclic 3',5'-(dimethylphosphoramidate), 1-[2-(dimethylamino)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyrimidine-2,4-dione, 1-[2-(Dimethylamino)-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C12H18N3O6P |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.09332 |
| Heavy Atoms | 22 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 40652-76-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)C2CC3C(O2)COP(=O)(O3)N(C)C |
| InChIKey | AFLIHLMNWDEWKU-UHFFFAOYSA-N |
Product Overview
Thymidine 3',N-dimethylphosphoramidate (CAS 40652-76-4), with molecular formula C12H18N3O6P and molecular weight 331.09 g/mol. IUPAC: 1-[2-(dimethylamino)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of Thymidine 3',N-dimethylphosphoramidate
Property Insights of Thymidine 3',N-dimethylphosphoramidate
The XLogP value of -0.9 indicates that Thymidine 3',N-dimethylphosphoramidate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine 3',N-dimethylphosphoramidate. Following Lipinski's Rule of Five, Thymidine 3',N-dimethylphosphoramidate 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',N-dimethylphosphoramidate?
The CAS number of Thymidine 3',N-dimethylphosphoramidate is 40652-76-4.
What is the molecular formula of Thymidine 3',N-dimethylphosphoramidate?
The molecular formula of Thymidine 3',N-dimethylphosphoramidate is C12H18N3O6P.
What is the molecular weight of Thymidine 3',N-dimethylphosphoramidate?
The molecular weight of Thymidine 3',N-dimethylphosphoramidate is 331.09 g/mol.
Where can I buy Thymidine 3',N-dimethylphosphoramidate?
You can request a quote for Thymidine 3',N-dimethylphosphoramidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine 3',N-dimethylphosphoramidate?
Yes, KEHONG BIO provides custom synthesis services for Thymidine 3',N-dimethylphosphoramidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.