Thymine bromohydrin
TL;DR: Thymine bromohydrin (CAS 1195-74-0) is a chemical compound with molecular formula C5H7BrN2O3 and molecular weight 221.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6S)-5-bromo-6-hydroxy-5-methyl-1,3-diazinane-2,4-dione
Also Known As: Thymine bromohydrin, KST-1A6351, (5S,6S)-5-bromo-6-hydroxy-5-methyl-1,3-diazinane-2,4-dione, (5s,6s)-5-bromo-6-hydroxy-5-methyldihydropyrimidine-2,4(1h,3h)-dione, 5-bromo-6-hydroxy-5-methyl-1,3-diazinane-2,4-dione
| Molecular Formula | C5H7BrN2O3 |
|---|---|
| Molecular Weight | 221.96 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.964 |
| Heavy Atoms | 11 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 1195-74-0 |
|---|---|
| SMILES | C[C@@]1([C@@H](NC(=O)NC1=O)O)Br |
| InChIKey | ZHSRDOVCKJIGBL-VHUNDSFISA-N |
Product Overview
Thymine bromohydrin (CAS 1195-74-0), with molecular formula C5H7BrN2O3 and molecular weight 221.96 g/mol. IUPAC: (5S,6S)-5-bromo-6-hydroxy-5-methyl-1,3-diazinane-2,4-dione.
Chemical Property Profile of Thymine bromohydrin
Property Insights of Thymine bromohydrin
The XLogP value of -0.6 indicates that Thymine bromohydrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymine bromohydrin. Following Lipinski's Rule of Five, Thymine bromohydrin has 3 hydrogen bond donor(s) and 3 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 Thymine bromohydrin?
The CAS number of Thymine bromohydrin is 1195-74-0.
What is the molecular formula of Thymine bromohydrin?
The molecular formula of Thymine bromohydrin is C5H7BrN2O3.
What is the molecular weight of Thymine bromohydrin?
The molecular weight of Thymine bromohydrin is 221.96 g/mol.
Where can I buy Thymine bromohydrin?
You can request a quote for Thymine bromohydrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymine bromohydrin?
Yes, KEHONG BIO provides custom synthesis services for Thymine bromohydrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.