ChemDiv1_001183
TL;DR: ChemDiv1_001183 (CAS 5708-59-8) is a chemical compound with molecular formula C19H23BrN2O5 and molecular weight 438.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: ChemDiv1_001183, BAS 00714427, pentyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, pentyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, pentyl 6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C19H23BrN2O5 |
|---|---|
| Molecular Weight | 438.08 g/mol |
| LogP | 3.8813 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.07904 |
| Heavy Atoms | 27 |
| Complexity | 792.54987 |
Chemical Identifiers
| CAS Number | 5708-59-8 |
|---|---|
| SMILES | CCCCCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2Br)OCO3)C)C |
Product Overview
ChemDiv1_001183 (CAS 5708-59-8), with molecular formula C19H23BrN2O5 and molecular weight 438.08 g/mol. IUPAC: pentyl 6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_001183
Property Insights of ChemDiv1_001183
The XLogP value of 3.8813 indicates that ChemDiv1_001183 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001183. Following Lipinski's Rule of Five, ChemDiv1_001183 has 1 hydrogen bond donor(s) and 5 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_001183?
The CAS number of ChemDiv1_001183 is 5708-59-8.
What is the molecular formula of ChemDiv1_001183?
The molecular formula of ChemDiv1_001183 is C19H23BrN2O5.
What is the molecular weight of ChemDiv1_001183?
The molecular weight of ChemDiv1_001183 is 438.08 g/mol.
Where can I buy ChemDiv1_001183?
You can request a quote for ChemDiv1_001183 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001183?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001183 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.