Oxathiolan 5BrU-alpha
TL;DR: Oxathiolan 5BrU-alpha (CAS 145986-16-9) is a chemical compound with molecular formula C8H9BrN2O4S and molecular weight 307.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
Also Known As: Oxathiolan 5BrU-alpha, Oxathiolan 5BrU-.a., 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-trans)-, (+)-(2R,5R)-5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)uracil, 1-[(2R,5R)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]-5-bromouracil
| Molecular Formula | C8H9BrN2O4S |
|---|---|
| Molecular Weight | 307.95 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.94662 |
| Heavy Atoms | 16 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 145986-16-9 |
|---|---|
| SMILES | C1[C@@H](O[C@H](S1)CO)N2C=C(C(=O)NC2=O)Br |
| InChIKey | GMHAMEKOPZZEBD-PHDIDXHHSA-N |
Product Overview
Oxathiolan 5BrU-alpha (CAS 145986-16-9), with molecular formula C8H9BrN2O4S and molecular weight 307.95 g/mol. IUPAC: 5-bromo-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione.
Chemical Property Profile of Oxathiolan 5BrU-alpha
Property Insights of Oxathiolan 5BrU-alpha
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxathiolan 5BrU-alpha. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxathiolan 5BrU-alpha. Following Lipinski's Rule of Five, Oxathiolan 5BrU-alpha has 2 hydrogen bond donor(s) and 5 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 Oxathiolan 5BrU-alpha?
The CAS number of Oxathiolan 5BrU-alpha is 145986-16-9.
What is the molecular formula of Oxathiolan 5BrU-alpha?
The molecular formula of Oxathiolan 5BrU-alpha is C8H9BrN2O4S.
What is the molecular weight of Oxathiolan 5BrU-alpha?
The molecular weight of Oxathiolan 5BrU-alpha is 307.95 g/mol.
Where can I buy Oxathiolan 5BrU-alpha?
You can request a quote for Oxathiolan 5BrU-alpha directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxathiolan 5BrU-alpha?
Yes, KEHONG BIO provides custom synthesis services for Oxathiolan 5BrU-alpha and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.