5-(2-Chloroethyl)-2'-deoxycytidine
TL;DR: 5-(2-Chloroethyl)-2'-deoxycytidine (CAS 90301-75-0) is a chemical compound with molecular formula C11H16ClN3O4 and molecular weight 289.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-(2-chloroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Also Known As: 5-(2-Chloroethyl)-2'-deoxycytidine, CEDC, 4-amino-5-(2-chloroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one, 4-amino-5-(2-chloroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy, 4-Amino-5-(2-chloroethyl)-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
| Molecular Formula | C11H16ClN3O4 |
|---|---|
| Molecular Weight | 289.08 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.08295 |
| Heavy Atoms | 19 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 90301-75-0 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)CCCl)CO)O |
| InChIKey | KQDWMXVMXQCPIZ-DJLDLDEBSA-N |
Product Overview
5-(2-Chloroethyl)-2'-deoxycytidine (CAS 90301-75-0), with molecular formula C11H16ClN3O4 and molecular weight 289.08 g/mol. IUPAC: 4-amino-5-(2-chloroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 5-(2-Chloroethyl)-2'-deoxycytidine
Property Insights of 5-(2-Chloroethyl)-2'-deoxycytidine
The XLogP value of -0.9 indicates that 5-(2-Chloroethyl)-2'-deoxycytidine 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 5-(2-Chloroethyl)-2'-deoxycytidine. Following Lipinski's Rule of Five, 5-(2-Chloroethyl)-2'-deoxycytidine 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 5-(2-Chloroethyl)-2'-deoxycytidine?
The CAS number of 5-(2-Chloroethyl)-2'-deoxycytidine is 90301-75-0.
What is the molecular formula of 5-(2-Chloroethyl)-2'-deoxycytidine?
The molecular formula of 5-(2-Chloroethyl)-2'-deoxycytidine is C11H16ClN3O4.
What is the molecular weight of 5-(2-Chloroethyl)-2'-deoxycytidine?
The molecular weight of 5-(2-Chloroethyl)-2'-deoxycytidine is 289.08 g/mol.
Where can I buy 5-(2-Chloroethyl)-2'-deoxycytidine?
You can request a quote for 5-(2-Chloroethyl)-2'-deoxycytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Chloroethyl)-2'-deoxycytidine?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Chloroethyl)-2'-deoxycytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.