6-Amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione
TL;DR: 6-Amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione (CAS 112635-84-4) is a chemical compound with molecular formula C18H16N4O3 and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1,3-dibenzyl-5-nitrosopyrimidine-2,4-dione
Also Known As: 6-amino-1,3-dibenzyl-5-nitrosopyrimidine-2,4-dione, 6-amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione, 6-amino-1,3-dibenzyl-5-nitrosopyrimidine-2,4(1H,3H)-dione, 6-amino-1,3-dibenzyl-5-nitroso-1H-pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, 6-amino-5-nitroso-1,3-bis(phenylmethyl)-
| Molecular Formula | C18H16N4O3 |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.12225 |
| Heavy Atoms | 25 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 112635-84-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=C(C(=O)N(C2=O)CC3=CC=CC=C3)N=O)N |
| InChIKey | CWTBGRYEGHIBTA-UHFFFAOYSA-N |
Product Overview
6-Amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione (CAS 112635-84-4), with molecular formula C18H16N4O3 and molecular weight 336.12 g/mol. IUPAC: 6-amino-1,3-dibenzyl-5-nitrosopyrimidine-2,4-dione.
Chemical Property Profile of 6-Amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione
Property Insights of 6-Amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 6-Amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione has 1 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 6-Amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione?
The CAS number of 6-Amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione is 112635-84-4.
What is the molecular formula of 6-Amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione?
The molecular formula of 6-Amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione is C18H16N4O3.
What is the molecular weight of 6-Amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione?
The molecular weight of 6-Amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione is 336.12 g/mol.
Where can I buy 6-Amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione?
You can request a quote for 6-Amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-1,3-dibenzyl-5-nitroso-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.