OxathiolanT-(-)-alpha
TL;DR: OxathiolanT-(-)-alpha (CAS 149819-46-5) is a chemical compound with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methylpyrimidine-2,4-dione
Also Known As: OxathiolanT-(-)-alpha, 3TC analog, trans-Oxathiolan-U, Oxathiolan T-(-)-alpha, OxathiolanT-(-).a.
| Molecular Formula | C9H12N2O4S |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.05177 |
| Heavy Atoms | 16 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 149819-46-5 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@@H]2CS[C@H](O2)CO |
| InChIKey | GCMLYCFXOXELDY-BQBZGAKWSA-N |
Product Overview
OxathiolanT-(-)-alpha (CAS 149819-46-5), with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol. IUPAC: 1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of OxathiolanT-(-)-alpha
Property Insights of OxathiolanT-(-)-alpha
The XLogP value of -0.5 indicates that OxathiolanT-(-)-alpha is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for OxathiolanT-(-)-alpha. Following Lipinski's Rule of Five, OxathiolanT-(-)-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 OxathiolanT-(-)-alpha?
The CAS number of OxathiolanT-(-)-alpha is 149819-46-5.
What is the molecular formula of OxathiolanT-(-)-alpha?
The molecular formula of OxathiolanT-(-)-alpha is C9H12N2O4S.
What is the molecular weight of OxathiolanT-(-)-alpha?
The molecular weight of OxathiolanT-(-)-alpha is 244.05 g/mol.
Where can I buy OxathiolanT-(-)-alpha?
You can request a quote for OxathiolanT-(-)-alpha directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for OxathiolanT-(-)-alpha?
Yes, KEHONG BIO provides custom synthesis services for OxathiolanT-(-)-alpha and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.