RefChem:283947
TL;DR: RefChem:283947 (CAS 72875-77-5) is a chemical compound with molecular formula C26H21Br2N3OS and molecular weight 580.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(1,3-benzothiazol-2-yl)-3-methylbutyl]-6,8-dibromo-2-phenylquinazolin-4-one
Also Known As: 3-(1-(2-Benzothiazolyl)-3-methylbutyl)-6,8-dibromo-2-phenyl-4(3H)-quinazolinone, 4(3H)-Quinazolinone, 3-(1-(2-benzothiazolyl)-3-methylbutyl)-6,8-dibromo-2-phenyl-, 3-[1-(1,3-benzothiazol-2-yl)-3-methylbutyl]-6,8-dibromo-2-phenylquinazolin-4-one, 3-[1-(1,3-benzothiazol-2-yl)-3-methylbutyl]-6,8-dibromo-2-phenylquinazolin-4(3H)-one, RefChem:283947
| Molecular Formula | C26H21Br2N3OS |
|---|---|
| Molecular Weight | 580.98 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 582.97516 |
| Heavy Atoms | 33 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 72875-77-5 |
|---|---|
| SMILES | CC(C)CC(C1=NC2=CC=CC=C2S1)N3C(=NC4=C(C3=O)C=C(C=C4Br)Br)C5=CC=CC=C5 |
| InChIKey | ZVVDXXGQNINYSO-UHFFFAOYSA-N |
Product Overview
RefChem:283947 (CAS 72875-77-5), with molecular formula C26H21Br2N3OS and molecular weight 580.98 g/mol. IUPAC: 3-[1-(1,3-benzothiazol-2-yl)-3-methylbutyl]-6,8-dibromo-2-phenylquinazolin-4-one.
Chemical Property Profile of RefChem:283947
Property Insights of RefChem:283947
The XLogP value of 7.6 indicates that RefChem:283947 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:283947. Following Lipinski's Rule of Five, RefChem:283947 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:283947?
The CAS number of RefChem:283947 is 72875-77-5.
What is the molecular formula of RefChem:283947?
The molecular formula of RefChem:283947 is C26H21Br2N3OS.
What is the molecular weight of RefChem:283947?
The molecular weight of RefChem:283947 is 580.98 g/mol.
Where can I buy RefChem:283947?
You can request a quote for RefChem:283947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283947?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.