胸苷酰(3'-5')胸苷氰乙酯
TL;DR: 胸苷酰(3'-5')胸苷氰乙酯 (CAS 5398-03-8) 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.
胸苷酰(3'-5')胸苷氰乙酯
3-[[23-hydroxy-16-(hydroxymethyl)-6,9-dimethyl-3,5,10,12,19-pentaoxo-15,18,20,25-tetraoxa-2,4,11,13-tetraza-19λ5-phosphahexacyclo[20.2.1.114,17.02,7.06,9.08,13]hexacosan-19-yl]oxy]propanenitrile
Also Known As: TPCET, Thymidylyl(3'-5')thymidine cyanoethyl ester, 3-[[23-hydroxy-16-(hydroxymethyl)-6,9-dimethyl-3,5,10,12,19-pentaoxo-15,18,20,25-tetraoxa-2,4,11,13-tetraza-19lambda5-phosphahexacyclo[20.2.1.114,17.02,7.06,9.08,13]hexacosan-19-yl]oxy]propanenitrile, 3-{[10-hydroxy-3-(hydroxymethyl)-15a,15b-dimethyl-6-oxido-13,15,16,18-tetraoxohexadecahydro-8h-9,12-epoxy-1,4-methano-2,5,7-trioxa-12a,14,17,18a-tetraaza-6-phosphacyclohexadeca[1,2,3,4-def]biphenylen-6-yl]oxy}propanenitrile
| Molecular Formula | C23H30N5O12P |
|---|---|
| Molecular Weight | 599.16 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 599.16284 |
| Heavy Atoms | 41 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 5398-03-8 |
|---|---|
| SMILES | CC12C3C4C1(C(=O)NC(=O)N4C5CC(C(O5)CO)OP(=O)(OCC6C(CC(N3C(=O)NC2=O)O6)O)OCCC#N)C |
| InChIKey | LOMNORXIHCFEJA-UHFFFAOYSA-N |
Product Overview
胸苷酰(3'-5')胸苷氰乙酯 (CAS 5398-03-8), with molecular formula C23H30N5O12P and molecular weight 599.16 g/mol. IUPAC: 3-[[23-hydroxy-16-(hydroxymethyl)-6,9-dimethyl-3,5,10,12,19-pentaoxo-15,18,20,25-tetraoxa-2,4,11,13-tetraza-19λ5-phosphahexacyclo[20.2.1.114,17.02,7.06,9.08,13]hexacosan-19-yl]oxy]propanenitrile.
Chemical Property Profile of 胸苷酰(3'-5')胸苷氰乙酯
Property Insights of 胸苷酰(3'-5')胸苷氰乙酯
The XLogP value of -3.5 indicates that 胸苷酰(3'-5')胸苷氰乙酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 226.0 Ų indicates high polarity, suggesting 胸苷酰(3'-5')胸苷氰乙酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 胸苷酰(3'-5')胸苷氰乙酯 has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 胸苷酰(3'-5')胸苷氰乙酯?
The CAS number of 胸苷酰(3'-5')胸苷氰乙酯 is 5398-03-8.
What is the molecular formula of 胸苷酰(3'-5')胸苷氰乙酯?
The molecular formula of 胸苷酰(3'-5')胸苷氰乙酯 is C23H30N5O12P.
What is the molecular weight of 胸苷酰(3'-5')胸苷氰乙酯?
The molecular weight of 胸苷酰(3'-5')胸苷氰乙酯 is 599.16 g/mol.
Where can I buy 胸苷酰(3'-5')胸苷氰乙酯?
You can request a quote for 胸苷酰(3'-5')胸苷氰乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胸苷酰(3'-5')胸苷氰乙酯?
Yes, KEHONG BIO provides custom synthesis services for 胸苷酰(3'-5')胸苷氰乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.