Thymidylyl-(3'-5')-thymidine methyl phosphotriester
TL;DR: Thymidylyl-(3'-5')-thymidine methyl phosphotriester (CAS 3964-61-2) is a chemical compound with molecular formula C21H29N4O12P and molecular weight 560.15 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]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methyl phosphate
Also Known As: BQ-dC, KST-1A4539, Thymidylyl-(3'-5')-thymidine methyl phosphotriester, Thymidine, P-methylthymidylyl-(3'-5')-, P-methyl-thymidylyl-(3'->5')-thymidine
| Molecular Formula | C21H29N4O12P |
|---|---|
| Molecular Weight | 560.15 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 560.152 |
| Heavy Atoms | 38 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 3964-61-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OC)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=C(C(=O)NC4=O)C)O |
| InChIKey | LGTAFJPHILMIHG-UGHUSNSZSA-N |
Product Overview
Thymidylyl-(3'-5')-thymidine methyl phosphotriester (CAS 3964-61-2), with molecular formula C21H29N4O12P and molecular weight 560.15 g/mol. IUPAC: [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methyl phosphate.
Chemical Property Profile of Thymidylyl-(3'-5')-thymidine methyl phosphotriester
Property Insights of Thymidylyl-(3'-5')-thymidine methyl phosphotriester
The XLogP value of -2.6 indicates that Thymidylyl-(3'-5')-thymidine methyl phosphotriester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 203.0 Ų indicates high polarity, suggesting Thymidylyl-(3'-5')-thymidine methyl phosphotriester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidylyl-(3'-5')-thymidine methyl phosphotriester has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thymidylyl-(3'-5')-thymidine methyl phosphotriester?
The CAS number of Thymidylyl-(3'-5')-thymidine methyl phosphotriester is 3964-61-2.
What is the molecular formula of Thymidylyl-(3'-5')-thymidine methyl phosphotriester?
The molecular formula of Thymidylyl-(3'-5')-thymidine methyl phosphotriester is C21H29N4O12P.
What is the molecular weight of Thymidylyl-(3'-5')-thymidine methyl phosphotriester?
The molecular weight of Thymidylyl-(3'-5')-thymidine methyl phosphotriester is 560.15 g/mol.
Where can I buy Thymidylyl-(3'-5')-thymidine methyl phosphotriester?
You can request a quote for Thymidylyl-(3'-5')-thymidine methyl phosphotriester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidylyl-(3'-5')-thymidine methyl phosphotriester?
Yes, KEHONG BIO provides custom synthesis services for Thymidylyl-(3'-5')-thymidine methyl phosphotriester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.