5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione
TL;DR: 5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione (CAS 403668-61-1) is a chemical compound with molecular formula C8H11ClN2O2 and molecular weight 202.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione
Also Known As: BAS 01838761, 5-Chloro-1-isobutyl-1H-pyrimidine-2,4-dione, 5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione, 5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C8H11ClN2O2 |
|---|---|
| Molecular Weight | 202.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.0509 |
| Heavy Atoms | 13 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 403668-61-1 |
|---|---|
| SMILES | CC(C)CN1C=C(C(=O)NC1=O)Cl |
| InChIKey | WPKGAEMKSFDMET-UHFFFAOYSA-N |
Product Overview
5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione (CAS 403668-61-1), with molecular formula C8H11ClN2O2 and molecular weight 202.05 g/mol. IUPAC: 5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione.
Chemical Property Profile of 5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione
Property Insights of 5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-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 5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione is 403668-61-1.
What is the molecular formula of 5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione is C8H11ClN2O2.
What is the molecular weight of 5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione is 202.05 g/mol.
Where can I buy 5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.