5-Chloro-2'-deoxy-2'-methyleneCytidine
TL;DR: 5-Chloro-2'-deoxy-2'-methyleneCytidine (CAS 129531-98-2) is a chemical compound with molecular formula C10H12ClN3O4 and molecular weight 273.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidin-2-one
Also Known As: 5-Chloro-2'-deoxy-2'-methyleneCytidine, Cytidine, 5-chloro-2'-deoxy-2'-methylene-, 2 -Deoxy-2 -methylene-5-chlorocytidine, 4-amino-5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-1,2-dihydropyrimidin-2-one
| Molecular Formula | C10H12ClN3O4 |
|---|---|
| Molecular Weight | 273.05 g/mol |
| LogP | -0.7143 |
| Topological Polar Surface Area | 110.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.05164 |
| Heavy Atoms | 18 |
| Complexity | 544.4146 |
Chemical Identifiers
| CAS Number | 129531-98-2 |
|---|---|
| SMILES | C=C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Cl)CO)O |
Product Overview
5-Chloro-2'-deoxy-2'-methyleneCytidine (CAS 129531-98-2), with molecular formula C10H12ClN3O4 and molecular weight 273.05 g/mol. IUPAC: 4-amino-5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 5-Chloro-2'-deoxy-2'-methyleneCytidine
Property Insights of 5-Chloro-2'-deoxy-2'-methyleneCytidine
The XLogP value of -0.7143 indicates that 5-Chloro-2'-deoxy-2'-methyleneCytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2'-deoxy-2'-methyleneCytidine. Following Lipinski's Rule of Five, 5-Chloro-2'-deoxy-2'-methyleneCytidine 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 5-Chloro-2'-deoxy-2'-methyleneCytidine?
The CAS number of 5-Chloro-2'-deoxy-2'-methyleneCytidine is 129531-98-2.
What is the molecular formula of 5-Chloro-2'-deoxy-2'-methyleneCytidine?
The molecular formula of 5-Chloro-2'-deoxy-2'-methyleneCytidine is C10H12ClN3O4.
What is the molecular weight of 5-Chloro-2'-deoxy-2'-methyleneCytidine?
The molecular weight of 5-Chloro-2'-deoxy-2'-methyleneCytidine is 273.05 g/mol.
Where can I buy 5-Chloro-2'-deoxy-2'-methyleneCytidine?
You can request a quote for 5-Chloro-2'-deoxy-2'-methyleneCytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2'-deoxy-2'-methyleneCytidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2'-deoxy-2'-methyleneCytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.