RefChem:911789
TL;DR: RefChem:911789 (CAS 17518-97-7) is a chemical compound with molecular formula C16H18Br2ClN3O3 and molecular weight 492.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-7-chloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]quinazolin-4-one;hydrobromide
Also Known As: CP-60949-4, CP 60949-4, 4(3H)-Quinazolinone, 6-bromo-7-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, monohydrobromide, 6-bromo-7-chloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]quinazolin-4-one;hydrobromide, 4(3H)-Quinazolinone, 6-bromo-7-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-, hydrobromide (1:1)
| Molecular Formula | C16H18Br2ClN3O3 |
|---|---|
| Molecular Weight | 492.94 g/mol |
| LogP | 2.46 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.9383 |
| Heavy Atoms | 25 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 17518-97-7 |
|---|---|
| SMILES | C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Br)Cl)O.Br |
| InChIKey | BGPVYCRBEGHEHO-UHFFFAOYSA-N |
Product Overview
RefChem:911789 (CAS 17518-97-7), with molecular formula C16H18Br2ClN3O3 and molecular weight 492.94 g/mol. IUPAC: 6-bromo-7-chloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]quinazolin-4-one;hydrobromide.
Chemical Property Profile of RefChem:911789
Property Insights of RefChem:911789
The XLogP value of 2.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:911789. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:911789. Following Lipinski's Rule of Five, RefChem:911789 has 3 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 RefChem:911789?
The CAS number of RefChem:911789 is 17518-97-7.
What is the molecular formula of RefChem:911789?
The molecular formula of RefChem:911789 is C16H18Br2ClN3O3.
What is the molecular weight of RefChem:911789?
The molecular weight of RefChem:911789 is 492.94 g/mol.
Where can I buy RefChem:911789?
You can request a quote for RefChem:911789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:911789?
Yes, KEHONG BIO provides custom synthesis services for RefChem:911789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.