2'-Deoxy-2'-methylidene-4'-thiocytidine
TL;DR: 2'-Deoxy-2'-methylidene-4'-thiocytidine (CAS 174833-62-6) is a chemical compound with molecular formula C10H13N3O3S and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylidenethiolan-2-yl]pyrimidin-2-one
Also Known As: 2'-deoxy-2'-methylidene-4'-thiocytidine, cytidine, 2'-deoxy-2'-methylene-4'-thio-, 4 -O-Thia-2 -methylene-2 -deoxycytidine, 1-[(4alpha-Hydroxy-5beta-hydroxymethyl-3-methylenetetrahydrothiophene)-2beta-yl]cytosine, 1-[3-Methylene-4alpha-hydroxy-5beta-(hydroxymethyl)tetrahydrothiophene-2beta-yl]cytosine
| Molecular Formula | C10H13N3O3S |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | -0.6511 |
| Topological Polar Surface Area | 101.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.06776 |
| Heavy Atoms | 17 |
| Complexity | 501.81464 |
Chemical Identifiers
| CAS Number | 174833-62-6 |
|---|---|
| SMILES | C=C1[C@@H]([C@H](S[C@H]1N2C=CC(=NC2=O)N)CO)O |
Product Overview
2'-Deoxy-2'-methylidene-4'-thiocytidine (CAS 174833-62-6), with molecular formula C10H13N3O3S and molecular weight 255.07 g/mol. IUPAC: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylidenethiolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 2'-Deoxy-2'-methylidene-4'-thiocytidine
Property Insights of 2'-Deoxy-2'-methylidene-4'-thiocytidine
The XLogP value of -0.6511 indicates that 2'-Deoxy-2'-methylidene-4'-thiocytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Deoxy-2'-methylidene-4'-thiocytidine. Following Lipinski's Rule of Five, 2'-Deoxy-2'-methylidene-4'-thiocytidine has 3 hydrogen bond donor(s) and 6 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-2'-methylidene-4'-thiocytidine?
The CAS number of 2'-Deoxy-2'-methylidene-4'-thiocytidine is 174833-62-6.
What is the molecular formula of 2'-Deoxy-2'-methylidene-4'-thiocytidine?
The molecular formula of 2'-Deoxy-2'-methylidene-4'-thiocytidine is C10H13N3O3S.
What is the molecular weight of 2'-Deoxy-2'-methylidene-4'-thiocytidine?
The molecular weight of 2'-Deoxy-2'-methylidene-4'-thiocytidine is 255.07 g/mol.
Where can I buy 2'-Deoxy-2'-methylidene-4'-thiocytidine?
You can request a quote for 2'-Deoxy-2'-methylidene-4'-thiocytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxy-2'-methylidene-4'-thiocytidine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-2'-methylidene-4'-thiocytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.