ChemDiv1_000838
TL;DR: ChemDiv1_000838 (CAS 299945-22-5) is a chemical compound with molecular formula C20H25BrN2O3 and molecular weight 420.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclooctyl 4-(4-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_000838, BAS 00485428, cyclooctyl 4-(4-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, cyclooctyl 4-(4-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, cyclooctyl 6-(4-bromophenyl)-4-methyl-2-oxo-1,3,6-trihydropyrimidine-5-carboxy late
| Molecular Formula | C20H25BrN2O3 |
|---|---|
| Molecular Weight | 420.10 g/mol |
| LogP | 4.7331 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.10486 |
| Heavy Atoms | 26 |
| Complexity | 691.51276 |
Chemical Identifiers
| CAS Number | 299945-22-5 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Br)C(=O)OC3CCCCCCC3 |
Product Overview
ChemDiv1_000838 (CAS 299945-22-5), with molecular formula C20H25BrN2O3 and molecular weight 420.10 g/mol. IUPAC: cyclooctyl 4-(4-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_000838
Property Insights of ChemDiv1_000838
The XLogP value of 4.7331 indicates that ChemDiv1_000838 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000838. Following Lipinski's Rule of Five, ChemDiv1_000838 has 2 hydrogen bond donor(s) and 3 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 ChemDiv1_000838?
The CAS number of ChemDiv1_000838 is 299945-22-5.
What is the molecular formula of ChemDiv1_000838?
The molecular formula of ChemDiv1_000838 is C20H25BrN2O3.
What is the molecular weight of ChemDiv1_000838?
The molecular weight of ChemDiv1_000838 is 420.10 g/mol.
Where can I buy ChemDiv1_000838?
You can request a quote for ChemDiv1_000838 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000838?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000838 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.