J1.001.490E
TL;DR: J1.001.490E (CAS 135123-29-4) is a chemical compound with molecular formula C11H13BrN2O5S and molecular weight 363.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-2-bromoethenyl]-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Also Known As: J1.001.490E, (E)-5-(2-Bromovinyl)-1-(4-thio-beta-D-arabinofuranosyl) uracil, 2,4(1H,3H)-Pyrimidinedione,5-(2-bromoethenyl)-1-(4-thio-, A-D-arabinofuranosyl)-, 1-[[(2R)-3beta,4alpha-Dihydroxy-5beta-(hydroxymethyl)tetrahydrothiophene]-2beta-yl]-5-[(E)-2-bromoethenyl]uracil
| Molecular Formula | C11H13BrN2O5S |
|---|---|
| Molecular Weight | 363.97 g/mol |
| LogP | -0.7697 |
| Topological Polar Surface Area | 115.55 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.97287 |
| Heavy Atoms | 20 |
| Complexity | 627.97485 |
Chemical Identifiers
| CAS Number | 135123-29-4 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](S2)CO)O)O)/C=C/Br |
Product Overview
J1.001.490E (CAS 135123-29-4), with molecular formula C11H13BrN2O5S and molecular weight 363.97 g/mol. IUPAC: 5-[(E)-2-bromoethenyl]-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of J1.001.490E
Property Insights of J1.001.490E
The XLogP value of -0.7697 indicates that J1.001.490E is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.55 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.001.490E. Following Lipinski's Rule of Five, J1.001.490E 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 J1.001.490E?
The CAS number of J1.001.490E is 135123-29-4.
What is the molecular formula of J1.001.490E?
The molecular formula of J1.001.490E is C11H13BrN2O5S.
What is the molecular weight of J1.001.490E?
The molecular weight of J1.001.490E is 363.97 g/mol.
Where can I buy J1.001.490E?
You can request a quote for J1.001.490E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.001.490E?
Yes, KEHONG BIO provides custom synthesis services for J1.001.490E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.