ChemDiv1_001990
TL;DR: ChemDiv1_001990 (CAS 313243-61-7) is a chemical compound with molecular formula C21H21BrN2O6 and molecular weight 476.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_001990, BAS 00915726, A1775/0075237, 4-methoxybenzyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, (4-methoxyphenyl)methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C21H21BrN2O6 |
|---|---|
| Molecular Weight | 476.06 g/mol |
| LogP | 3.5432 |
| Topological Polar Surface Area | 106.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.0583 |
| Heavy Atoms | 30 |
| Complexity | 1003.30133 |
Chemical Identifiers
| CAS Number | 313243-61-7 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCC3=CC=C(C=C3)OC |
Product Overview
ChemDiv1_001990 (CAS 313243-61-7), with molecular formula C21H21BrN2O6 and molecular weight 476.06 g/mol. IUPAC: (4-methoxyphenyl)methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_001990
Property Insights of ChemDiv1_001990
The XLogP value of 3.5432 indicates that ChemDiv1_001990 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001990. Following Lipinski's Rule of Five, ChemDiv1_001990 has 3 hydrogen bond donor(s) and 6 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_001990?
The CAS number of ChemDiv1_001990 is 313243-61-7.
What is the molecular formula of ChemDiv1_001990?
The molecular formula of ChemDiv1_001990 is C21H21BrN2O6.
What is the molecular weight of ChemDiv1_001990?
The molecular weight of ChemDiv1_001990 is 476.06 g/mol.
Where can I buy ChemDiv1_001990?
You can request a quote for ChemDiv1_001990 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001990?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001990 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.