3'-N3-5-BrCH=CH-ddU
TL;DR: 3'-N3-5-BrCH=CH-ddU (CAS 80646-52-2) is a chemical compound with molecular formula C11H12BrN5O4 and molecular weight 357.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(2-bromoethenyl)pyrimidine-2,4-dione
Also Known As: 3'-N3-5-BrCH=CH-ddU, 3-Azido-5-bromovinyl-2,3-dideoxyuridine, 3'-Azido-5-bromovinyl-2',3'-dideoxyuridine, Uridine, 3'-azido-5-(2-bromoethenyl)-2',3'-dideoxy-, (E)-
| Molecular Formula | C11H12BrN5O4 |
|---|---|
| Molecular Weight | 357.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.00726 |
| Heavy Atoms | 21 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 80646-52-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=CBr)CO)N=[N+]=[N-] |
| InChIKey | RITJCMXQJOICCU-DJLDLDEBSA-N |
Product Overview
3'-N3-5-BrCH=CH-ddU (CAS 80646-52-2), with molecular formula C11H12BrN5O4 and molecular weight 357.01 g/mol. IUPAC: 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(2-bromoethenyl)pyrimidine-2,4-dione.
Chemical Property Profile of 3'-N3-5-BrCH=CH-ddU
Property Insights of 3'-N3-5-BrCH=CH-ddU
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-N3-5-BrCH=CH-ddU. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-N3-5-BrCH=CH-ddU. Following Lipinski's Rule of Five, 3'-N3-5-BrCH=CH-ddU has 2 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 3'-N3-5-BrCH=CH-ddU?
The CAS number of 3'-N3-5-BrCH=CH-ddU is 80646-52-2.
What is the molecular formula of 3'-N3-5-BrCH=CH-ddU?
The molecular formula of 3'-N3-5-BrCH=CH-ddU is C11H12BrN5O4.
What is the molecular weight of 3'-N3-5-BrCH=CH-ddU?
The molecular weight of 3'-N3-5-BrCH=CH-ddU is 357.01 g/mol.
Where can I buy 3'-N3-5-BrCH=CH-ddU?
You can request a quote for 3'-N3-5-BrCH=CH-ddU directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-N3-5-BrCH=CH-ddU?
Yes, KEHONG BIO provides custom synthesis services for 3'-N3-5-BrCH=CH-ddU and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.