2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)-
TL;DR: 2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)- (CAS 121123-90-8) is a chemical compound with molecular formula C10H11N3O5 and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolane-3-carbonitrile
Also Known As: Uracil deriv., CNddU, uridine, 3'-C-cyano-3'-deoxy-, 1-(3-C-Cyano-3-deoxy-B-D-xylo-pentofuranosyl)uracil, 2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)-
| Molecular Formula | C10H11N3O5 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.06987 |
| Heavy Atoms | 18 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 121123-90-8 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)CO)C#N)O |
| InChIKey | LQCFXQFCWDHFAZ-HIORRCEOSA-N |
Product Overview
2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)- (CAS 121123-90-8), with molecular formula C10H11N3O5 and molecular weight 253.07 g/mol. IUPAC: (2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolane-3-carbonitrile.
Chemical Property Profile of 2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)-
Property Insights of 2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)-
The XLogP value of -1.6 indicates that 2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)-. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)- has 3 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 2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)-?
The CAS number of 2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)- is 121123-90-8.
What is the molecular formula of 2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)-?
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)- is C10H11N3O5.
What is the molecular weight of 2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)-?
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)- is 253.07 g/mol.
Where can I buy 2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)-?
You can request a quote for 2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.