ChemDiv1_001027
TL;DR: ChemDiv1_001027 (CAS 302561-39-3) is a chemical compound with molecular formula C18H21BrN2O4 and molecular weight 408.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopentyl 4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_001027, BAS 00155076, A1043/0048898, cyclopentyl 4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, CYCLOPENTYL 4-(3-BROMO-4-METHOXYPHENYL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE
| Molecular Formula | C18H21BrN2O4 |
|---|---|
| Molecular Weight | 408.07 g/mol |
| LogP | 3.5714 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.06848 |
| Heavy Atoms | 25 |
| Complexity | 725.7863 |
Chemical Identifiers
| CAS Number | 302561-39-3 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OC)Br)C(=O)OC3CCCC3 |
Product Overview
ChemDiv1_001027 (CAS 302561-39-3), with molecular formula C18H21BrN2O4 and molecular weight 408.07 g/mol. IUPAC: cyclopentyl 4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_001027
Property Insights of ChemDiv1_001027
The XLogP value of 3.5714 indicates that ChemDiv1_001027 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001027. Following Lipinski's Rule of Five, ChemDiv1_001027 has 2 hydrogen bond donor(s) and 4 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_001027?
The CAS number of ChemDiv1_001027 is 302561-39-3.
What is the molecular formula of ChemDiv1_001027?
The molecular formula of ChemDiv1_001027 is C18H21BrN2O4.
What is the molecular weight of ChemDiv1_001027?
The molecular weight of ChemDiv1_001027 is 408.07 g/mol.
Where can I buy ChemDiv1_001027?
You can request a quote for ChemDiv1_001027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001027?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.