ChemDiv1_008442
TL;DR: ChemDiv1_008442 (CAS 347352-56-1) is a chemical compound with molecular formula C18H21BrN2O6 and molecular weight 440.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yloxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_008442, DivK1c_003082, CDS1_002042, 2-(propan-2-yloxy)ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-isopropoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C18H21BrN2O6 |
|---|---|
| Molecular Weight | 440.06 g/mol |
| LogP | 2.7739 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.0583 |
| Heavy Atoms | 27 |
| Complexity | 792.3017 |
Chemical Identifiers
| CAS Number | 347352-56-1 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCOC(C)C |
Product Overview
ChemDiv1_008442 (CAS 347352-56-1), with molecular formula C18H21BrN2O6 and molecular weight 440.06 g/mol. IUPAC: 2-propan-2-yloxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_008442
Property Insights of ChemDiv1_008442
The XLogP value of 2.7739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_008442. The TPSA of 95.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008442. Following Lipinski's Rule of Five, ChemDiv1_008442 has 2 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_008442?
The CAS number of ChemDiv1_008442 is 347352-56-1.
What is the molecular formula of ChemDiv1_008442?
The molecular formula of ChemDiv1_008442 is C18H21BrN2O6.
What is the molecular weight of ChemDiv1_008442?
The molecular weight of ChemDiv1_008442 is 440.06 g/mol.
Where can I buy ChemDiv1_008442?
You can request a quote for ChemDiv1_008442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008442?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.