ChemDiv1_006498
TL;DR: ChemDiv1_006498 (CAS 361187-10-2) is a chemical compound with molecular formula C28H25N3O6 and molecular weight 499.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-ylmethyl)-2-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-1,2-dihydroquinazolin-4-one
Also Known As: ChemDiv1_006498, BIM-0015418.P001, 3-(furan-2-ylmethyl)-2-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-1,2-dihydroquinazolin-4-one, 3-(furan-2-ylmethyl)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-2,3-dihydroquinazolin-4(1H)-one, 3-(furan-2-ylmethyl)-2-(4-methoxy-3-((3-methyl-4-nitrophenoxy)methyl)phenyl)-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C28H25N3O6 |
|---|---|
| Molecular Weight | 499.17 g/mol |
| LogP | 5.85052 |
| Topological Polar Surface Area | 107.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.17435 |
| Heavy Atoms | 37 |
| Complexity | 1450.3153 |
Chemical Identifiers
| CAS Number | 361187-10-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)OC)[N+](=O)[O-] |
Product Overview
ChemDiv1_006498 (CAS 361187-10-2), with molecular formula C28H25N3O6 and molecular weight 499.17 g/mol. IUPAC: 3-(furan-2-ylmethyl)-2-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-1,2-dihydroquinazolin-4-one.
Chemical Property Profile of ChemDiv1_006498
Property Insights of ChemDiv1_006498
The XLogP value of 5.85052 indicates that ChemDiv1_006498 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006498. Following Lipinski's Rule of Five, ChemDiv1_006498 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_006498?
The CAS number of ChemDiv1_006498 is 361187-10-2.
What is the molecular formula of ChemDiv1_006498?
The molecular formula of ChemDiv1_006498 is C28H25N3O6.
What is the molecular weight of ChemDiv1_006498?
The molecular weight of ChemDiv1_006498 is 499.17 g/mol.
Where can I buy ChemDiv1_006498?
You can request a quote for ChemDiv1_006498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006498?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.