Brivudine Impurity 21
TL;DR: Brivudine Impurity 21 (CAS 61135-36-2) is a chemical compound with molecular formula C11H12Br2N2O5 and molecular weight 409.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,2-dibromoethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: Brivudine Impurity 21, Brivudine Impurity 49, Uridine, 2'-deoxy-5-(2,2-dibromoethenyl)-, 2'-Deoxy-5-(2,2-dibromovinyl)uridine, 5-(2,2-Dibromovinyl)-2 -deoxyuridine
| Molecular Formula | C11H12Br2N2O5 |
|---|---|
| Molecular Weight | 409.91 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.9113 |
| Heavy Atoms | 20 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 61135-36-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=C(Br)Br)CO)O |
| InChIKey | OGFRDDQDVKGOPG-LKEWCRSYSA-N |
Product Overview
Brivudine Impurity 21 (CAS 61135-36-2), with molecular formula C11H12Br2N2O5 and molecular weight 409.91 g/mol. IUPAC: 5-(2,2-dibromoethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of Brivudine Impurity 21
Property Insights of Brivudine Impurity 21
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brivudine Impurity 21. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Brivudine Impurity 21. Following Lipinski's Rule of Five, Brivudine Impurity 21 has 3 hydrogen bond donor(s) and 5 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 Brivudine Impurity 21?
The CAS number of Brivudine Impurity 21 is 61135-36-2.
What is the molecular formula of Brivudine Impurity 21?
The molecular formula of Brivudine Impurity 21 is C11H12Br2N2O5.
What is the molecular weight of Brivudine Impurity 21?
The molecular weight of Brivudine Impurity 21 is 409.91 g/mol.
Where can I buy Brivudine Impurity 21?
You can request a quote for Brivudine Impurity 21 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brivudine Impurity 21?
Yes, KEHONG BIO provides custom synthesis services for Brivudine Impurity 21 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.