2'-deoxy-4'-ethynyl-5-methylcytidine
TL;DR: 2'-deoxy-4'-ethynyl-5-methylcytidine (CAS 311348-98-8) is a chemical compound with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
Also Known As: 2'-deoxy-4'-ethynyl-5-methylcytidine, 4 -Ethynyl-2 -deoxy-5-methylcytidine, Cytidine,2'-deoxy-4'-C-ethynyl-5-methyl-, J1.445.859J, 1-(2-Deoxy-4-C-ethynyl-beta-D-ribo-pentofuranosyl)-5-methylcytosine
| Molecular Formula | C12H15N3O4 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.10626 |
| Heavy Atoms | 19 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 311348-98-8 |
|---|---|
| SMILES | CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@](O2)(CO)C#C)O |
| InChIKey | WTXZTUMDRHBSQE-YGOYTEALSA-N |
Product Overview
2'-deoxy-4'-ethynyl-5-methylcytidine (CAS 311348-98-8), with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol. IUPAC: 4-amino-1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one.
Chemical Property Profile of 2'-deoxy-4'-ethynyl-5-methylcytidine
Property Insights of 2'-deoxy-4'-ethynyl-5-methylcytidine
The XLogP value of -1.4 indicates that 2'-deoxy-4'-ethynyl-5-methylcytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-deoxy-4'-ethynyl-5-methylcytidine. Following Lipinski's Rule of Five, 2'-deoxy-4'-ethynyl-5-methylcytidine has 3 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 2'-deoxy-4'-ethynyl-5-methylcytidine?
The CAS number of 2'-deoxy-4'-ethynyl-5-methylcytidine is 311348-98-8.
What is the molecular formula of 2'-deoxy-4'-ethynyl-5-methylcytidine?
The molecular formula of 2'-deoxy-4'-ethynyl-5-methylcytidine is C12H15N3O4.
What is the molecular weight of 2'-deoxy-4'-ethynyl-5-methylcytidine?
The molecular weight of 2'-deoxy-4'-ethynyl-5-methylcytidine is 265.11 g/mol.
Where can I buy 2'-deoxy-4'-ethynyl-5-methylcytidine?
You can request a quote for 2'-deoxy-4'-ethynyl-5-methylcytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-deoxy-4'-ethynyl-5-methylcytidine?
Yes, KEHONG BIO provides custom synthesis services for 2'-deoxy-4'-ethynyl-5-methylcytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.