5'-Thymidylic acid, 3'-(5-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4)
TL;DR: 5'-Thymidylic acid, 3'-(5-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4) (CAS 101011-02-3) is a chemical compound with molecular formula C29H53N4O9P and molecular weight 632.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-3-[5-[diethyl-[4-(triethylazaniumyl)butyl]azaniumyl]pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
Also Known As: 5'-Thymidylic acid, 3'-(5-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4), 3'-O-(5-{Diethyl[4-(triethylazaniumyl)butyl]azaniumyl}pentanoyl)-5'-O-phosphonatothymidine, [(2R,3S,5R)-3-[5-[diethyl-[4-(triethylazaniumyl)butyl]azaniumyl]pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
| Molecular Formula | C29H53N4O9P |
|---|---|
| Molecular Weight | 632.36 g/mol |
| LogP | 1.57322 |
| Topological Polar Surface Area | 162.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 632.35504 |
| Heavy Atoms | 43 |
| Complexity | 1164.9589 |
Chemical Identifiers
| CAS Number | 101011-02-3 |
|---|---|
| SMILES | CC[N+](CC)(CC)CCCC[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-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4) (CAS 101011-02-3), with molecular formula C29H53N4O9P and molecular weight 632.36 g/mol. IUPAC: [(2R,3S,5R)-3-[5-[diethyl-[4-(triethylazaniumyl)butyl]azaniumyl]pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate.
Chemical Property Profile of 5'-Thymidylic acid, 3'-(5-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4)
Property Insights of 5'-Thymidylic acid, 3'-(5-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4)
The XLogP value of 1.57322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-Thymidylic acid, 3'-(5-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4). The TPSA of 162.81 Ų indicates high polarity, suggesting 5'-Thymidylic acid, 3'-(5-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-Thymidylic acid, 3'-(5-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4) has 1 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-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4)?
The CAS number of 5'-Thymidylic acid, 3'-(5-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4) is 101011-02-3.
What is the molecular formula of 5'-Thymidylic acid, 3'-(5-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4)?
The molecular formula of 5'-Thymidylic acid, 3'-(5-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4) is C29H53N4O9P.
What is the molecular weight of 5'-Thymidylic acid, 3'-(5-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4)?
The molecular weight of 5'-Thymidylic acid, 3'-(5-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4) is 632.36 g/mol.
Where can I buy 5'-Thymidylic acid, 3'-(5-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4)?
You can request a quote for 5'-Thymidylic acid, 3'-(5-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4) 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-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4)?
Yes, KEHONG BIO provides custom synthesis services for 5'-Thymidylic acid, 3'-(5-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.