RefChem:385491
TL;DR: RefChem:385491 (CAS 118526-09-3) is a chemical compound with molecular formula C29H22BrClN4O2S and molecular weight 604.03357 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[6-bromo-2-[(4-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]phenyl]-3-(4-chlorophenyl)thiourea
Also Known As: Thiourea, N-(4-(6-bromo-2-((4-methylphenoxy)methyl)-4-oxo-3(4H)-quinazolinyl)phenyl)-N'-(4-chlorophenyl)-, 1-[4-[6-bromo-2-[(4-methylphenoxy)methyl]-4-oxo-quinazolin-3-yl]phenyl]-3-(4-chlorophenyl)thiourea, 1-[4-[6-bromo-2-[(4-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]phenyl]-3-(4-chlorophenyl)thiourea, N-(4-{6-Bromo-2-[(4-methylphenoxy)methyl]-4-oxoquinazolin-3(4H)-yl}phenyl)-N'-(4-chlorophenyl)thiourea
Technical Specifications
| Molecular Formula | C29H22BrClN4O2S |
| Molecular Weight | 604.03357 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 98.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 604.03357 Da |
| Heavy Atoms | 38 |
| Complexity | 854.0 |
| SMILES | CC1=CC=C(C=C1)OCC2=NC3=C(C=C(C=C3)Br)C(=O)N2C4=CC=C(C=C4)NC(=S)NC5=CC=C(C=C5)Cl |
| InChIKey | KHTMQUHAOUODIQ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:385491
Property Insights of RefChem:385491
The XLogP value of 7.0 indicates that RefChem:385491 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:385491. Following Lipinski's Rule of Five, RefChem:385491 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:385491?
The CAS number of RefChem:385491 is 118526-09-3.
What is the molecular formula of RefChem:385491?
The molecular formula of RefChem:385491 is C29H22BrClN4O2S.
What is the molecular weight of RefChem:385491?
The molecular weight of RefChem:385491 is 604.03357 g/mol.
Where can I buy RefChem:385491?
You can request a quote for RefChem:385491 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:385491?
Yes, CoreyChem provides custom synthesis services for RefChem:385491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.