BRN 0863841
TL;DR: BRN 0863841 (CAS 36933-79-6) is a chemical compound with molecular formula C22H15IN4O4 and molecular weight 526.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]-6-iodo-2-methylquinazolin-4-one
Also Known As: 5-24-03-00211 (Beilstein Handbook Reference), 3-(4-(((2-Hydroxy-3-nitrophenyl)methylene)amino)phenyl)-6-iodo-2-methyl-4(3H)-quinazolinone, 4(3H)-Quinazolinone, 3-(4-(((2-hydroxy-3-nitrophenyl)methylene)amino)phenyl)-6-iodo-2-methyl-, 6-iodo-2-methyl-3-[4-[[(Z)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]quinazolin-4-one, BRN 0863841
| Molecular Formula | C22H15IN4O4 |
|---|---|
| Molecular Weight | 526.01 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 526.0138 |
| Heavy Atoms | 31 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 36933-79-6 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=C(C=C3)N=CC4=C(C(=CC=C4)[N+](=O)[O-])O |
| InChIKey | GMKQRLOFKBXXKV-UHFFFAOYSA-N |
Product Overview
BRN 0863841 (CAS 36933-79-6), with molecular formula C22H15IN4O4 and molecular weight 526.01 g/mol. IUPAC: 3-[4-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]-6-iodo-2-methylquinazolin-4-one.
Chemical Property Profile of BRN 0863841
Property Insights of BRN 0863841
The XLogP value of 4.4 indicates that BRN 0863841 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 0863841. Following Lipinski's Rule of Five, BRN 0863841 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRN 0863841?
The CAS number of BRN 0863841 is 36933-79-6.
What is the molecular formula of BRN 0863841?
The molecular formula of BRN 0863841 is C22H15IN4O4.
What is the molecular weight of BRN 0863841?
The molecular weight of BRN 0863841 is 526.01 g/mol.
Where can I buy BRN 0863841?
You can request a quote for BRN 0863841 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0863841?
Yes, KEHONG BIO provides custom synthesis services for BRN 0863841 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.