Oxathiolan 5MeC-.b.
TL;DR: Oxathiolan 5MeC-.b. (CAS 137623-41-7) is a chemical compound with molecular formula C9H13N3O3S and molecular weight 243.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methylpyrimidin-2-one
Also Known As: Oxathiolan 5MeC-.b., Oxathiolan, 5MeC-(+)-beta, Oxathiolan, 5MeC-(+).b., 2'-Deoxy-5-methyl-3'-thiacytidine, 5-Methyl SddC, 5-MethylSddC, 5-Me SddC
| Molecular Formula | C9H13N3O3S |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.06776 |
| Heavy Atoms | 16 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 137623-41-7 |
|---|---|
| SMILES | CC1=CN(C(=O)N=C1N)[C@H]2CS[C@H](O2)CO |
| InChIKey | ZQVQEBGUQLDSPM-RQJHMYQMSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxathiolan 5MeC-.b. (CAS 137623-41-7), with molecular formula C9H13N3O3S and molecular weight 243.07 g/mol. IUPAC: 4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methylpyrimidin-2-one.
Chemical Property Profile of Oxathiolan 5MeC-.b.
Property Insights of Oxathiolan 5MeC-.b.
The XLogP value of -0.6 indicates that Oxathiolan 5MeC-.b. is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxathiolan 5MeC-.b.. Following Lipinski's Rule of Five, Oxathiolan 5MeC-.b. has 2 hydrogen bond donor(s) and 4 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 5MeC-.b.?
The CAS number of Oxathiolan 5MeC-.b. is 137623-41-7.
What is the molecular formula of Oxathiolan 5MeC-.b.?
The molecular formula of Oxathiolan 5MeC-.b. is C9H13N3O3S.
What is the molecular weight of Oxathiolan 5MeC-.b.?
The molecular weight of Oxathiolan 5MeC-.b. is 243.07 g/mol.
Where can I buy Oxathiolan 5MeC-.b.?
You can request a quote for Oxathiolan 5MeC-.b. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxathiolan 5MeC-.b.?
Yes, KEHONG BIO provides custom synthesis services for Oxathiolan 5MeC-.b. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.