Thymidylyl-(3'-5')-thymidine cyanoethyl phosphotriester
TL;DR: Thymidylyl-(3'-5')-thymidine cyanoethyl phosphotriester (CAS 18875-74-6) is a chemical compound with molecular formula C23H30N5O12P and molecular weight 599.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-2-[[3-cyano-1-[(2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate
Also Known As: TTCEP, Thymidylyl-(3'-5')-thymidine cyanoethyl phosphotriester, Thymidine, P-(2-cyanoethyl)thymidylyl-(3'-5')-, thymidylyl-(3/'-5/')-thymidine cyanoethyl phosphotriester, [(2R,3S,5R)-2-[[3-cyano-1-[(2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate
| Molecular Formula | C23H30N5O12P |
|---|---|
| Molecular Weight | 599.16 g/mol |
| LogP | -1.19358 |
| Topological Polar Surface Area | 248.19 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 599.16284 |
| Heavy Atoms | 41 |
| Complexity | 1585.1813 |
Chemical Identifiers
| CAS Number | 18875-74-6 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C(CCC#N)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)OP(=O)(O)O)O |
Product Overview
Thymidylyl-(3'-5')-thymidine cyanoethyl phosphotriester (CAS 18875-74-6), with molecular formula C23H30N5O12P and molecular weight 599.16 g/mol. IUPAC: [(2R,3S,5R)-2-[[3-cyano-1-[(2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate.
Chemical Property Profile of Thymidylyl-(3'-5')-thymidine cyanoethyl phosphotriester
Property Insights of Thymidylyl-(3'-5')-thymidine cyanoethyl phosphotriester
The XLogP value of -1.19358 indicates that Thymidylyl-(3'-5')-thymidine cyanoethyl phosphotriester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 248.19 Ų indicates high polarity, suggesting Thymidylyl-(3'-5')-thymidine cyanoethyl phosphotriester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidylyl-(3'-5')-thymidine cyanoethyl phosphotriester has 5 hydrogen bond donor(s) and 11 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 cyanoethyl phosphotriester?
The CAS number of Thymidylyl-(3'-5')-thymidine cyanoethyl phosphotriester is 18875-74-6.
What is the molecular formula of Thymidylyl-(3'-5')-thymidine cyanoethyl phosphotriester?
The molecular formula of Thymidylyl-(3'-5')-thymidine cyanoethyl phosphotriester is C23H30N5O12P.
What is the molecular weight of Thymidylyl-(3'-5')-thymidine cyanoethyl phosphotriester?
The molecular weight of Thymidylyl-(3'-5')-thymidine cyanoethyl phosphotriester is 599.16 g/mol.
Where can I buy Thymidylyl-(3'-5')-thymidine cyanoethyl phosphotriester?
You can request a quote for Thymidylyl-(3'-5')-thymidine cyanoethyl 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 cyanoethyl phosphotriester?
Yes, KEHONG BIO provides custom synthesis services for Thymidylyl-(3'-5')-thymidine cyanoethyl phosphotriester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.