5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3)
TL;DR: 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3) (CAS 101010-98-4) is a chemical compound with molecular formula C26H47N4O9P and molecular weight 590.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-3-[5-[3-(diethylamino)propyl-diethylazaniumyl]pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
Also Known As: 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3), [(2R,3S,5R)-3-[5-[3-(diethylamino)propyl-diethylazaniumyl]pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate, 3'-O-(5-{[3-(Diethylamino)propyl]di(ethyl)azaniumyl}pentanoyl)-5'-O-(hydroxyphosphinato)thymidine
| Molecular Formula | C26H47N4O9P |
|---|---|
| Molecular Weight | 590.31 g/mol |
| LogP | 1.28042 |
| Topological Polar Surface Area | 163.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 590.30804 |
| Heavy Atoms | 40 |
| Complexity | 1094.381 |
Chemical Identifiers
| CAS Number | 101010-98-4 |
|---|---|
| SMILES | CCN(CC)CCC[N+](CC)(CC)CCCCC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)[O-])N2C=C(C(=O)NC2=O)C |
Product Overview
5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3) (CAS 101010-98-4), with molecular formula C26H47N4O9P and molecular weight 590.31 g/mol. IUPAC: [(2R,3S,5R)-3-[5-[3-(diethylamino)propyl-diethylazaniumyl]pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate.
Chemical Property Profile of 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3)
Property Insights of 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3)
The XLogP value of 1.28042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3). The TPSA of 163.22 Ų indicates high polarity, suggesting 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3) has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3)?
The CAS number of 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3) is 101010-98-4.
What is the molecular formula of 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3)?
The molecular formula of 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3) is C26H47N4O9P.
What is the molecular weight of 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3)?
The molecular weight of 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3) is 590.31 g/mol.
Where can I buy 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3)?
You can request a quote for 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3)?
Yes, KEHONG BIO provides custom synthesis services for 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.