ChemDiv1_002266
TL;DR: ChemDiv1_002266 (CAS 329073-05-4) is a chemical compound with molecular formula C18H19BrN2O6 and molecular weight 438.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxolan-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_002266, BAS 03459702, A1919/0080697, oxolan-2-ylmethyl 6-(6-bromo(2H-benzo[d]1,3-dioxolen-5-yl))-4-methyl-2-oxo-1,3 ,6-trihydropyrimidine-5-carboxylate, TETRAHYDRO-2-FURANYLMETHYL 4-(6-BROMO-1,3-BENZODIOXOL-5-YL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE
| Molecular Formula | C18H19BrN2O6 |
|---|---|
| Molecular Weight | 438.04 g/mol |
| LogP | 2.5279 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.04266 |
| Heavy Atoms | 27 |
| Complexity | 818.315 |
Chemical Identifiers
| CAS Number | 329073-05-4 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCC4CCCO4 |
Product Overview
ChemDiv1_002266 (CAS 329073-05-4), with molecular formula C18H19BrN2O6 and molecular weight 438.04 g/mol. IUPAC: oxolan-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_002266
Property Insights of ChemDiv1_002266
The XLogP value of 2.5279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002266. The TPSA of 95.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002266. Following Lipinski's Rule of Five, ChemDiv1_002266 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_002266?
The CAS number of ChemDiv1_002266 is 329073-05-4.
What is the molecular formula of ChemDiv1_002266?
The molecular formula of ChemDiv1_002266 is C18H19BrN2O6.
What is the molecular weight of ChemDiv1_002266?
The molecular weight of ChemDiv1_002266 is 438.04 g/mol.
Where can I buy ChemDiv1_002266?
You can request a quote for ChemDiv1_002266 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002266?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002266 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.