KP8T3G9XFE
TL;DR: KP8T3G9XFE (CAS 112733-08-1) is a chemical compound with molecular formula C17H11BrF2N2O4 and molecular weight 423.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-2,4-dioxoquinazolin-1-yl]acetic acid
Also Known As: FR 76505, 1(2H)-Quinazolineacetic acid, 3,4-dihydro-3-((4-bromo-2-fluorophenyl)methyl)-2,4-dioxo-7-fluoro-, 2-(7-Fluoro-3-(4-bromo-2-fluorobenzyl)-1,2,3,4-tetrahydro-2,4-dioxoquinazolin-1-yl)acetic acid, 2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-2,4-dioxoquinazolin-1-yl]acetic acid, 1(2H)-Quinazolineaceticacid, 3-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-2,4-dioxo-
| Molecular Formula | C17H11BrF2N2O4 |
|---|---|
| Molecular Weight | 423.99 g/mol |
| LogP | 2.3368 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.98703 |
| Heavy Atoms | 26 |
| Complexity | 1153.9336 |
Chemical Identifiers
| CAS Number | 112733-08-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O |
Product Overview
KP8T3G9XFE (CAS 112733-08-1), with molecular formula C17H11BrF2N2O4 and molecular weight 423.99 g/mol. IUPAC: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-2,4-dioxoquinazolin-1-yl]acetic acid.
Chemical Property Profile of KP8T3G9XFE
Property Insights of KP8T3G9XFE
The XLogP value of 2.3368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KP8T3G9XFE. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for KP8T3G9XFE. Following Lipinski's Rule of Five, KP8T3G9XFE has 1 hydrogen bond donor(s) and 3 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 KP8T3G9XFE?
The CAS number of KP8T3G9XFE is 112733-08-1.
What is the molecular formula of KP8T3G9XFE?
The molecular formula of KP8T3G9XFE is C17H11BrF2N2O4.
What is the molecular weight of KP8T3G9XFE?
The molecular weight of KP8T3G9XFE is 423.99 g/mol.
Where can I buy KP8T3G9XFE?
You can request a quote for KP8T3G9XFE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KP8T3G9XFE?
Yes, KEHONG BIO provides custom synthesis services for KP8T3G9XFE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.