CTK5H0178
TL;DR: CTK5H0178 (CAS 91593-18-9) is a chemical compound with molecular formula C15H17BrN2O7 and molecular weight 416.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-3-acetyloxy-5-[5-(2-bromoethenyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl acetate
Also Known As: 3',5'-Di-O-acetyl-5-(2-bromovinyl)-2'-deoxyuridine, [(2R,3S,5R)-3-Acetyloxy-5-[5-(2-bromoethenyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl acetate
| Molecular Formula | C15H17BrN2O7 |
|---|---|
| Molecular Weight | 416.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.0219 |
| Heavy Atoms | 25 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 91593-18-9 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C=CBr)OC(=O)C |
| InChIKey | XOXDXFVBRHEPDN-YNEHKIRRSA-N |
Product Overview
CTK5H0178 (CAS 91593-18-9), with molecular formula C15H17BrN2O7 and molecular weight 416.02 g/mol. IUPAC: [(2R,3S,5R)-3-acetyloxy-5-[5-(2-bromoethenyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl acetate.
Chemical Property Profile of CTK5H0178
Property Insights of CTK5H0178
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK5H0178. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5H0178. Following Lipinski's Rule of Five, CTK5H0178 has 1 hydrogen bond donor(s) and 7 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 CTK5H0178?
The CAS number of CTK5H0178 is 91593-18-9.
What is the molecular formula of CTK5H0178?
The molecular formula of CTK5H0178 is C15H17BrN2O7.
What is the molecular weight of CTK5H0178?
The molecular weight of CTK5H0178 is 416.02 g/mol.
Where can I buy CTK5H0178?
You can request a quote for CTK5H0178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5H0178?
Yes, KEHONG BIO provides custom synthesis services for CTK5H0178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.