Ro 21-9875
TL;DR: Ro 21-9875 (CAS 107811-78-9) is a chemical compound with molecular formula C11H14BrN2O9P and molecular weight 427.96204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
Also Known As: Ro 21-9875, ((5-(5-Bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid, {[5-(5-Bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid, 2-[[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid, 2-[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
Technical Specifications
| Molecular Formula | C11H14BrN2O9P |
| Molecular Weight | 427.96204 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.96204 Da |
| Heavy Atoms | 24 |
| Complexity | 639.0 |
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(CC(=O)O)O)O |
| InChIKey | GKOHJLFOMVUMNR-XLPZGREQSA-N |
Chemical Property Profile of Ro 21-9875
Property Insights of Ro 21-9875
The XLogP value of -1.9 indicates that Ro 21-9875 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting Ro 21-9875 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ro 21-9875 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ro 21-9875?
The CAS number of Ro 21-9875 is 107811-78-9.
What is the molecular formula of Ro 21-9875?
The molecular formula of Ro 21-9875 is C11H14BrN2O9P.
What is the molecular weight of Ro 21-9875?
The molecular weight of Ro 21-9875 is 427.96204 g/mol.
Where can I buy Ro 21-9875?
You can request a quote for Ro 21-9875 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ro 21-9875?
Yes, CoreyChem provides custom synthesis services for Ro 21-9875 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.