cis-5,6-Dihydroxythymine
TL;DR: cis-5,6-Dihydroxythymine (CAS 58000-49-0) is a chemical compound with molecular formula C5H8N2O4 and molecular weight 160.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6R)-5,6-dihydroxy-5-methyl-1,3-diazinane-2,4-dione
Also Known As: Thymine glycol, cis-5,6-Dihydroxythymine, trans-5S,6S-Thymine glycol, (5S,6R)-Thymine glycol, (5S,6R)-5,6-dihydroxy-5-methyl-1,3-diazinane-2,4-dione
| Molecular Formula | C5H8N2O4 |
|---|---|
| Molecular Weight | 160.05 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.0484 |
| Heavy Atoms | 11 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 58000-49-0 |
|---|---|
| SMILES | C[C@@]1([C@H](NC(=O)NC1=O)O)O |
| InChIKey | GUKSGXOLJNWRLZ-MVHIGOERSA-N |
Product Overview
cis-5,6-Dihydroxythymine (CAS 58000-49-0), with molecular formula C5H8N2O4 and molecular weight 160.05 g/mol. IUPAC: (5S,6R)-5,6-dihydroxy-5-methyl-1,3-diazinane-2,4-dione.
Chemical Property Profile of cis-5,6-Dihydroxythymine
Property Insights of cis-5,6-Dihydroxythymine
The XLogP value of -2.0 indicates that cis-5,6-Dihydroxythymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for cis-5,6-Dihydroxythymine. Following Lipinski's Rule of Five, cis-5,6-Dihydroxythymine has 4 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 cis-5,6-Dihydroxythymine?
The CAS number of cis-5,6-Dihydroxythymine is 58000-49-0.
What is the molecular formula of cis-5,6-Dihydroxythymine?
The molecular formula of cis-5,6-Dihydroxythymine is C5H8N2O4.
What is the molecular weight of cis-5,6-Dihydroxythymine?
The molecular weight of cis-5,6-Dihydroxythymine is 160.05 g/mol.
Where can I buy cis-5,6-Dihydroxythymine?
You can request a quote for cis-5,6-Dihydroxythymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-5,6-Dihydroxythymine?
Yes, KEHONG BIO provides custom synthesis services for cis-5,6-Dihydroxythymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.