F3168-1888
TL;DR: F3168-1888 (CAS 896701-33-0) is a chemical compound with molecular formula C25H25BrN6O4S and molecular weight 584.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[6-bromo-2-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide
Also Known As: F3168-1888, 4-{[6-bromo-2-({[(3-methyl-1H-pyrazol-5-yl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-methoxyethyl)benzamide, 4-((6-bromo-2-((2-((3-methyl-1H-pyrazol-5-yl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)methyl)-N-(2-methoxyethyl)benzamide, 4-[[6-bromo-2-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide
| Molecular Formula | C25H25BrN6O4S |
|---|---|
| Molecular Weight | 584.08 g/mol |
| LogP | 3.34582 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 584.08417 |
| Heavy Atoms | 37 |
| Complexity | 1485.0662 |
Chemical Identifiers
| CAS Number | 896701-33-0 |
|---|---|
| SMILES | CC1=CC(=NN1)NC(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC4=CC=C(C=C4)C(=O)NCCOC |
Product Overview
F3168-1888 (CAS 896701-33-0), with molecular formula C25H25BrN6O4S and molecular weight 584.08 g/mol. IUPAC: 4-[[6-bromo-2-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide.
Chemical Property Profile of F3168-1888
Property Insights of F3168-1888
The XLogP value of 3.34582 indicates that F3168-1888 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for F3168-1888. Following Lipinski's Rule of Five, F3168-1888 has 3 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 F3168-1888?
The CAS number of F3168-1888 is 896701-33-0.
What is the molecular formula of F3168-1888?
The molecular formula of F3168-1888 is C25H25BrN6O4S.
What is the molecular weight of F3168-1888?
The molecular weight of F3168-1888 is 584.08 g/mol.
Where can I buy F3168-1888?
You can request a quote for F3168-1888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3168-1888?
Yes, KEHONG BIO provides custom synthesis services for F3168-1888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.