![5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one structure](/static/products/7314/73149-18-5.webp)
5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one
TL;DR: 5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one (CAS 73149-18-5) is a chemical compound with molecular formula C12H14BrFN2O5 and molecular weight 364.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-[6-(fluoromethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
Also Known As: 5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one, 5-bromo-1-[6-(fluoromethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
| Molecular Formula | C12H14BrFN2O5 |
|---|---|
| Molecular Weight | 364.01 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.00702 |
| Heavy Atoms | 21 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 73149-18-5 |
|---|---|
| SMILES | CC1(OC2C(OC(C2O1)N3C=C(C(=O)NC3=O)Br)CF)C |
| InChIKey | VYLTYUOOSXBYHS-UHFFFAOYSA-N |
Product Overview
5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one (CAS 73149-18-5), with molecular formula C12H14BrFN2O5 and molecular weight 364.01 g/mol. IUPAC: 5-bromo-1-[6-(fluoromethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one
Property Insights of 5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one has 1 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 5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one?
The CAS number of 5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one is 73149-18-5.
What is the molecular formula of 5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one?
The molecular formula of 5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one is C12H14BrFN2O5.
What is the molecular weight of 5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one?
The molecular weight of 5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one is 364.01 g/mol.
Where can I buy 5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one?
You can request a quote for 5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-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 5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-1-[5-deoxy-5-fluoro-2,3-O-(1-methylethylidene)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.