4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one
TL;DR: 4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one (CAS 3066-86-2) is a chemical compound with molecular formula C9H12BrN3O5 and molecular weight 321.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-bromo-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Also Known As: 5-bromocytidine, ChemDiv1_027597, 1H-pyrazolo[3,4-b]pyridine, 4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one, A1730/0073571
| Molecular Formula | C9H12BrN3O5 |
|---|---|
| Molecular Weight | 321.00 g/mol |
| LogP | -1.8005 |
| Topological Polar Surface Area | 130.83 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.99603 |
| Heavy Atoms | 18 |
| Complexity | 507.46674 |
Chemical Identifiers
| CAS Number | 3066-86-2 |
|---|---|
| SMILES | C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)Br |
Product Overview
4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one (CAS 3066-86-2), with molecular formula C9H12BrN3O5 and molecular weight 321.00 g/mol. IUPAC: 4-amino-5-bromo-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one
Property Insights of 4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one
The XLogP value of -1.8005 indicates that 4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one has 4 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 4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one?
The CAS number of 4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one is 3066-86-2.
What is the molecular formula of 4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one?
The molecular formula of 4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one is C9H12BrN3O5.
What is the molecular weight of 4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one?
The molecular weight of 4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one is 321.00 g/mol.
Where can I buy 4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one?
You can request a quote for 4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.