Bromovinyldeoxycytidine
TL;DR: Bromovinyldeoxycytidine (CAS 74131-09-2) is a chemical compound with molecular formula C11H14BrN3O4 and molecular weight 331.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-(2-bromoethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Also Known As: Bromovinyldeoxycytidine, 5-(2-Bromovinyl)-2'-deoxycytidine, (E)-5-(2-Bromovinyl)-2'-deoxycytidine, 4-AMINO-5-(2-BROMOETHENYL)-1-[(2R,4S,5R)-4-HYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]PYRIMIDIN-2-ONE
| Molecular Formula | C11H14BrN3O4 |
|---|---|
| Molecular Weight | 331.02 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.01678 |
| Heavy Atoms | 19 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 74131-09-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C=CBr)CO)O |
| InChIKey | AKVDSWDYVDOWDW-DJLDLDEBSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromovinyldeoxycytidine (CAS 74131-09-2), with molecular formula C11H14BrN3O4 and molecular weight 331.02 g/mol. IUPAC: 4-amino-5-(2-bromoethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of Bromovinyldeoxycytidine
Property Insights of Bromovinyldeoxycytidine
The XLogP value of -0.6 indicates that Bromovinyldeoxycytidine 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 Bromovinyldeoxycytidine. Following Lipinski's Rule of Five, Bromovinyldeoxycytidine 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 Bromovinyldeoxycytidine?
The CAS number of Bromovinyldeoxycytidine is 74131-09-2.
What is the molecular formula of Bromovinyldeoxycytidine?
The molecular formula of Bromovinyldeoxycytidine is C11H14BrN3O4.
What is the molecular weight of Bromovinyldeoxycytidine?
The molecular weight of Bromovinyldeoxycytidine is 331.02 g/mol.
Where can I buy Bromovinyldeoxycytidine?
You can request a quote for Bromovinyldeoxycytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromovinyldeoxycytidine?
Yes, KEHONG BIO provides custom synthesis services for Bromovinyldeoxycytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.