3-benzyl-6-chloro-1H-pyrimidine-2,4-dione
TL;DR: 3-benzyl-6-chloro-1H-pyrimidine-2,4-dione (CAS 5759-76-2) is a chemical compound with molecular formula C11H9ClN2O2 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-chloro-1H-pyrimidine-2,4-dione
Also Known As: 3-benzyl-6-chlorouracil, 3-benzyl-6-chloro-1H-pyrimidine-2,4-dione, 3-benzyl-6-chloropyrimidine-2,4(1H,3H)-dione, J2.880.343E, 3-benzyl-6-chloro-2,4(1H,3H)-pyrimidinedione
| Molecular Formula | C11H9ClN2O2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 1.2383 |
| Topological Polar Surface Area | 54.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.03525 |
| Heavy Atoms | 16 |
| Complexity | 570.1219 |
Chemical Identifiers
| CAS Number | 5759-76-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C=C(NC2=O)Cl |
Product Overview
3-benzyl-6-chloro-1H-pyrimidine-2,4-dione (CAS 5759-76-2), with molecular formula C11H9ClN2O2 and molecular weight 236.04 g/mol. IUPAC: 3-benzyl-6-chloro-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 3-benzyl-6-chloro-1H-pyrimidine-2,4-dione
Property Insights of 3-benzyl-6-chloro-1H-pyrimidine-2,4-dione
The XLogP value of 1.2383 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-6-chloro-1H-pyrimidine-2,4-dione. With a topological polar surface area (TPSA) of 54.86 Ų, 3-benzyl-6-chloro-1H-pyrimidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-6-chloro-1H-pyrimidine-2,4-dione has 1 hydrogen bond donor(s) and 2 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 3-benzyl-6-chloro-1H-pyrimidine-2,4-dione?
The CAS number of 3-benzyl-6-chloro-1H-pyrimidine-2,4-dione is 5759-76-2.
What is the molecular formula of 3-benzyl-6-chloro-1H-pyrimidine-2,4-dione?
The molecular formula of 3-benzyl-6-chloro-1H-pyrimidine-2,4-dione is C11H9ClN2O2.
What is the molecular weight of 3-benzyl-6-chloro-1H-pyrimidine-2,4-dione?
The molecular weight of 3-benzyl-6-chloro-1H-pyrimidine-2,4-dione is 236.04 g/mol.
Where can I buy 3-benzyl-6-chloro-1H-pyrimidine-2,4-dione?
You can request a quote for 3-benzyl-6-chloro-1H-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 3-benzyl-6-chloro-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-6-chloro-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.