6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione
TL;DR: 6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione (CAS 214636-53-0) is a chemical compound with molecular formula C9H13ClN2O2 and molecular weight 216.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
Also Known As: nchembio744-comp31, 6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione, 6-chloro-1-isobutyl-3-methyl-pyrimidine-2,4-dione, F2147-5309, 6-Chloro-1-isobutyl-3-methylpyrmidine-2,4(1H,3H)-dione
| Molecular Formula | C9H13ClN2O2 |
|---|---|
| Molecular Weight | 216.07 g/mol |
| LogP | 0.8564 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.06656 |
| Heavy Atoms | 14 |
| Complexity | 445.10568 |
Chemical Identifiers
| CAS Number | 214636-53-0 |
|---|---|
| SMILES | CC(C)CN1C(=CC(=O)N(C1=O)C)Cl |
Product Overview
6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione (CAS 214636-53-0), with molecular formula C9H13ClN2O2 and molecular weight 216.07 g/mol. IUPAC: 6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.
Chemical Property Profile of 6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione
Property Insights of 6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione
The XLogP value of 0.8564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione. With a topological polar surface area (TPSA) of 44.0 Ų, 6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione has 0 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 6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione?
The CAS number of 6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione is 214636-53-0.
What is the molecular formula of 6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione?
The molecular formula of 6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione is C9H13ClN2O2.
What is the molecular weight of 6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione?
The molecular weight of 6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione is 216.07 g/mol.
Where can I buy 6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione?
You can request a quote for 6-Chloro-1-isobutyl-3-methylpyrimidine-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 6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.