5-Carboxymethylaminomethyl-2-thiouridine
TL;DR: 5-Carboxymethylaminomethyl-2-thiouridine (CAS 78173-95-2) is a chemical compound with molecular formula C12H17N3O7S and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylamino]acetic acid
Also Known As: 5-Cmtu, cmnm(5)s(2)u, 5-Carboxymethylaminomethyl-2-thiouridine, 5-(Carboxymethylaminomethyl)-2-thiouridine, 2-thio-5-{[(carboxymethyl)amino]methyl}uridine
| Molecular Formula | C12H17N3O7S |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | -2.30841 |
| Topological Polar Surface Area | 157.04 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.07874 |
| Heavy Atoms | 23 |
| Complexity | 687.9673 |
Chemical Identifiers
| CAS Number | 78173-95-2 |
|---|---|
| SMILES | C1=C(C(=O)NC(=S)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)CNCC(=O)O |
Product Overview
5-Carboxymethylaminomethyl-2-thiouridine (CAS 78173-95-2), with molecular formula C12H17N3O7S and molecular weight 347.08 g/mol. IUPAC: 2-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylamino]acetic acid.
Chemical Property Profile of 5-Carboxymethylaminomethyl-2-thiouridine
Property Insights of 5-Carboxymethylaminomethyl-2-thiouridine
The XLogP value of -2.30841 indicates that 5-Carboxymethylaminomethyl-2-thiouridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.04 Ų indicates high polarity, suggesting 5-Carboxymethylaminomethyl-2-thiouridine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Carboxymethylaminomethyl-2-thiouridine has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Carboxymethylaminomethyl-2-thiouridine?
The CAS number of 5-Carboxymethylaminomethyl-2-thiouridine is 78173-95-2.
What is the molecular formula of 5-Carboxymethylaminomethyl-2-thiouridine?
The molecular formula of 5-Carboxymethylaminomethyl-2-thiouridine is C12H17N3O7S.
What is the molecular weight of 5-Carboxymethylaminomethyl-2-thiouridine?
The molecular weight of 5-Carboxymethylaminomethyl-2-thiouridine is 347.08 g/mol.
Where can I buy 5-Carboxymethylaminomethyl-2-thiouridine?
You can request a quote for 5-Carboxymethylaminomethyl-2-thiouridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Carboxymethylaminomethyl-2-thiouridine?
Yes, KEHONG BIO provides custom synthesis services for 5-Carboxymethylaminomethyl-2-thiouridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.