3-(2-Carboxyethyl)cytosine
TL;DR: 3-(2-Carboxyethyl)cytosine (CAS 5452-85-7) is a chemical compound with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-amino-2-oxopyrimidin-1-yl)propanoic acid
Also Known As: 3-Cect, 3- cytosine, 3-(2-Carboxyethyl)cytosine, KST-1B5334, KST-1B5335
| Molecular Formula | C7H9N3O3 |
|---|---|
| Molecular Weight | 183.06 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.06439 |
| Heavy Atoms | 13 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 5452-85-7 |
|---|---|
| SMILES | C1=C(N(C(=O)N=C1)CCC(=O)O)N |
| InChIKey | WYZGJTDHNAZBRC-UHFFFAOYSA-N |
Product Overview
3-(2-Carboxyethyl)cytosine (CAS 5452-85-7), with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol. IUPAC: 3-(6-amino-2-oxopyrimidin-1-yl)propanoic acid.
Chemical Property Profile of 3-(2-Carboxyethyl)cytosine
Property Insights of 3-(2-Carboxyethyl)cytosine
The XLogP value of -1.5 indicates that 3-(2-Carboxyethyl)cytosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Carboxyethyl)cytosine. Following Lipinski's Rule of Five, 3-(2-Carboxyethyl)cytosine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-Carboxyethyl)cytosine?
The CAS number of 3-(2-Carboxyethyl)cytosine is 5452-85-7.
What is the molecular formula of 3-(2-Carboxyethyl)cytosine?
The molecular formula of 3-(2-Carboxyethyl)cytosine is C7H9N3O3.
What is the molecular weight of 3-(2-Carboxyethyl)cytosine?
The molecular weight of 3-(2-Carboxyethyl)cytosine is 183.06 g/mol.
Where can I buy 3-(2-Carboxyethyl)cytosine?
You can request a quote for 3-(2-Carboxyethyl)cytosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Carboxyethyl)cytosine?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Carboxyethyl)cytosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.