Oxathiolan 5ClU-.a.
TL;DR: Oxathiolan 5ClU-.a. (CAS 137530-46-2) is a chemical compound with molecular formula C8H9ClN2O4S and molecular weight 264.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
Also Known As: Oxathiolan 5ClU-.a., Oxathiolan, 5ClU-(+)-beta, 5-Cl SddU, 5-ClSddU, Oxathiolan, 5ClU-(+).b., 2'-Deoxy-5-chloro-3'-thiauridine
| Molecular Formula | C8H9ClN2O4S |
|---|---|
| Molecular Weight | 264.00 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 | 263.99716 |
| Heavy Atoms | 16 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 137530-46-2 |
|---|---|
| SMILES | C1[C@@H](O[C@@H](S1)CO)N2C=C(C(=O)NC2=O)Cl |
| InChIKey | DVJJKFFBFIKNCE-RITPCOANSA-N |
Product Overview
Oxathiolan 5ClU-.a. (CAS 137530-46-2), with molecular formula C8H9ClN2O4S and molecular weight 264.00 g/mol. IUPAC: 5-chloro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione.
Chemical Property Profile of Oxathiolan 5ClU-.a.
Property Insights of Oxathiolan 5ClU-.a.
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxathiolan 5ClU-.a.. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxathiolan 5ClU-.a.. Following Lipinski's Rule of Five, Oxathiolan 5ClU-.a. 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 5ClU-.a.?
The CAS number of Oxathiolan 5ClU-.a. is 137530-46-2.
What is the molecular formula of Oxathiolan 5ClU-.a.?
The molecular formula of Oxathiolan 5ClU-.a. is C8H9ClN2O4S.
What is the molecular weight of Oxathiolan 5ClU-.a.?
The molecular weight of Oxathiolan 5ClU-.a. is 264.00 g/mol.
Where can I buy Oxathiolan 5ClU-.a.?
You can request a quote for Oxathiolan 5ClU-.a. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxathiolan 5ClU-.a.?
Yes, KEHONG BIO provides custom synthesis services for Oxathiolan 5ClU-.a. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.