1-beta-D-Arabinofuranosyl-5-((1E)-2-chloroethenyl)-2,4(1H,3H)-pyrimidinedione
TL;DR: 1-beta-D-Arabinofuranosyl-5-((1E)-2-chloroethenyl)-2,4(1H,3H)-pyrimidinedione (CAS 77181-70-5) is a chemical compound with molecular formula C11H13ClN2O6 and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-2-chloroethenyl]-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: CV-Arau, CV-Ara-U, 1-beta-Arabinofuranosyl-5-(2-chlorovinyl)uracil, 1-beta-D-arabinofuranosyl-E-5-(2-chlorovinyl)uracil, 5-[(E)-2-chloroethenyl]-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
| Molecular Formula | C11H13ClN2O6 |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | -1.6424 |
| Topological Polar Surface Area | 124.78 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.0462 |
| Heavy Atoms | 20 |
| Complexity | 624.07477 |
Chemical Identifiers
| CAS Number | 77181-70-5 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)/C=C/Cl |
Product Overview
1-beta-D-Arabinofuranosyl-5-((1E)-2-chloroethenyl)-2,4(1H,3H)-pyrimidinedione (CAS 77181-70-5), with molecular formula C11H13ClN2O6 and molecular weight 304.05 g/mol. IUPAC: 5-[(E)-2-chloroethenyl]-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 1-beta-D-Arabinofuranosyl-5-((1E)-2-chloroethenyl)-2,4(1H,3H)-pyrimidinedione
Property Insights of 1-beta-D-Arabinofuranosyl-5-((1E)-2-chloroethenyl)-2,4(1H,3H)-pyrimidinedione
The XLogP value of -1.6424 indicates that 1-beta-D-Arabinofuranosyl-5-((1E)-2-chloroethenyl)-2,4(1H,3H)-pyrimidinedione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-beta-D-Arabinofuranosyl-5-((1E)-2-chloroethenyl)-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 1-beta-D-Arabinofuranosyl-5-((1E)-2-chloroethenyl)-2,4(1H,3H)-pyrimidinedione has 4 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 1-beta-D-Arabinofuranosyl-5-((1E)-2-chloroethenyl)-2,4(1H,3H)-pyrimidinedione?
The CAS number of 1-beta-D-Arabinofuranosyl-5-((1E)-2-chloroethenyl)-2,4(1H,3H)-pyrimidinedione is 77181-70-5.
What is the molecular formula of 1-beta-D-Arabinofuranosyl-5-((1E)-2-chloroethenyl)-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 1-beta-D-Arabinofuranosyl-5-((1E)-2-chloroethenyl)-2,4(1H,3H)-pyrimidinedione is C11H13ClN2O6.
What is the molecular weight of 1-beta-D-Arabinofuranosyl-5-((1E)-2-chloroethenyl)-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 1-beta-D-Arabinofuranosyl-5-((1E)-2-chloroethenyl)-2,4(1H,3H)-pyrimidinedione is 304.05 g/mol.
Where can I buy 1-beta-D-Arabinofuranosyl-5-((1E)-2-chloroethenyl)-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 1-beta-D-Arabinofuranosyl-5-((1E)-2-chloroethenyl)-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-beta-D-Arabinofuranosyl-5-((1E)-2-chloroethenyl)-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 1-beta-D-Arabinofuranosyl-5-((1E)-2-chloroethenyl)-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.