ChemDiv1_000857
TL;DR: ChemDiv1_000857 (CAS 299406-97-6) is a chemical compound with molecular formula C19H21BrN2O5 and molecular weight 436.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylcyclopentyl) 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_000857, BAS 00311249, 2-methylcyclopentyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, (2-methylcyclopentyl) 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, 2-methylcyclopentyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C19H21BrN2O5 |
|---|---|
| Molecular Weight | 436.06 g/mol |
| LogP | 3.5375 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.0634 |
| Heavy Atoms | 27 |
| Complexity | 837.6341 |
Chemical Identifiers
| CAS Number | 299406-97-6 |
|---|---|
| SMILES | CC1CCCC1OC(=O)C2=C(NC(=O)NC2C3=CC4=C(C=C3Br)OCO4)C |
Product Overview
ChemDiv1_000857 (CAS 299406-97-6), with molecular formula C19H21BrN2O5 and molecular weight 436.06 g/mol. IUPAC: (2-methylcyclopentyl) 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_000857
Property Insights of ChemDiv1_000857
The XLogP value of 3.5375 indicates that ChemDiv1_000857 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000857. Following Lipinski's Rule of Five, ChemDiv1_000857 has 2 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_000857?
The CAS number of ChemDiv1_000857 is 299406-97-6.
What is the molecular formula of ChemDiv1_000857?
The molecular formula of ChemDiv1_000857 is C19H21BrN2O5.
What is the molecular weight of ChemDiv1_000857?
The molecular weight of ChemDiv1_000857 is 436.06 g/mol.
Where can I buy ChemDiv1_000857?
You can request a quote for ChemDiv1_000857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000857?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.