1-Nitroso-5,6-dihydrothymine
TL;DR: 1-Nitroso-5,6-dihydrothymine (CAS 62641-67-2) is a chemical compound with molecular formula CC1CN(C(=O)NC1=O)N=O and molecular weight 157.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-nitroso-1,3-diazinane-2,4-dione
Also Known As: 1-Nitroso-5,6-dihydrothymine, NDHT, 5-methyl-1-nitroso-1,3-diazinane-2,4-dione, Thymine, 5,6-dihydro-1-nitroso-, Dihydro-5-methyl-1-nitroso-2,4(1H,3H)-pyrimidinedione
| Molecular Formula | CC1CN(C(=O)NC1=O)N=O |
|---|---|
| Molecular Weight | 157.05 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.04874 |
| Heavy Atoms | 11 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 62641-67-2 |
|---|---|
| SMILES | CC1CN(C(=O)NC1=O)N=O |
| InChIKey | VHNPZOQVSSWOJZ-UHFFFAOYSA-N |
Product Overview
1-Nitroso-5,6-dihydrothymine (CAS 62641-67-2), with molecular formula CC1CN(C(=O)NC1=O)N=O and molecular weight 157.05 g/mol. IUPAC: 5-methyl-1-nitroso-1,3-diazinane-2,4-dione.
Chemical Property Profile of 1-Nitroso-5,6-dihydrothymine
Property Insights of 1-Nitroso-5,6-dihydrothymine
The XLogP value of -0.7 indicates that 1-Nitroso-5,6-dihydrothymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitroso-5,6-dihydrothymine. Following Lipinski's Rule of Five, 1-Nitroso-5,6-dihydrothymine has 1 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 1-Nitroso-5,6-dihydrothymine?
The CAS number of 1-Nitroso-5,6-dihydrothymine is 62641-67-2.
What is the molecular formula of 1-Nitroso-5,6-dihydrothymine?
The molecular formula of 1-Nitroso-5,6-dihydrothymine is CC1CN(C(=O)NC1=O)N=O.
What is the molecular weight of 1-Nitroso-5,6-dihydrothymine?
The molecular weight of 1-Nitroso-5,6-dihydrothymine is 157.05 g/mol.
Where can I buy 1-Nitroso-5,6-dihydrothymine?
You can request a quote for 1-Nitroso-5,6-dihydrothymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitroso-5,6-dihydrothymine?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitroso-5,6-dihydrothymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.