3',5'-Dioctanoyl-5-bromodeoxyuridine
TL;DR: 3',5'-Dioctanoyl-5-bromodeoxyuridine (CAS 19064-68-7) is a chemical compound with molecular formula C25H39BrN2O7 and molecular weight 558.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-octanoyloxyoxolan-2-yl]methyl octanoate
Also Known As: Brdu-C8, 3',5'-Dioctanoyl-5-bromodeoxyuridine, 5-bromo-2'-deoxy-3',5'-di-o-octanoyluridine, 3 -O,5 -O-Dioctanoyl-5-bromo-2 -deoxyuridine, 5-Bromo-1-(2-deoxy-3,5-di-O-octanoylpentofuranosyl)-4-hydroxypyrimidin-2(1H)-one
| Molecular Formula | C25H39BrN2O7 |
|---|---|
| Molecular Weight | 558.19 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 558.19403 |
| Heavy Atoms | 35 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 19064-68-7 |
|---|---|
| SMILES | CCCCCCCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)Br)OC(=O)CCCCCCC |
| InChIKey | GDRPJKGKAGJBGR-PWRODBHTSA-N |
Product Overview
3',5'-Dioctanoyl-5-bromodeoxyuridine (CAS 19064-68-7), with molecular formula C25H39BrN2O7 and molecular weight 558.19 g/mol. IUPAC: [(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-octanoyloxyoxolan-2-yl]methyl octanoate.
Chemical Property Profile of 3',5'-Dioctanoyl-5-bromodeoxyuridine
Property Insights of 3',5'-Dioctanoyl-5-bromodeoxyuridine
The XLogP value of 6.3 indicates that 3',5'-Dioctanoyl-5-bromodeoxyuridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3',5'-Dioctanoyl-5-bromodeoxyuridine. Following Lipinski's Rule of Five, 3',5'-Dioctanoyl-5-bromodeoxyuridine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3',5'-Dioctanoyl-5-bromodeoxyuridine?
The CAS number of 3',5'-Dioctanoyl-5-bromodeoxyuridine is 19064-68-7.
What is the molecular formula of 3',5'-Dioctanoyl-5-bromodeoxyuridine?
The molecular formula of 3',5'-Dioctanoyl-5-bromodeoxyuridine is C25H39BrN2O7.
What is the molecular weight of 3',5'-Dioctanoyl-5-bromodeoxyuridine?
The molecular weight of 3',5'-Dioctanoyl-5-bromodeoxyuridine is 558.19 g/mol.
Where can I buy 3',5'-Dioctanoyl-5-bromodeoxyuridine?
You can request a quote for 3',5'-Dioctanoyl-5-bromodeoxyuridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',5'-Dioctanoyl-5-bromodeoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for 3',5'-Dioctanoyl-5-bromodeoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.