A0636/0029545
TL;DR: A0636/0029545 (CAS 339191-33-2) is a chemical compound with molecular formula C23H15Br2N3O2 and molecular weight 522.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-bromophenyl)-6-[(4-bromophenyl)iminomethyl]-7-hydroxy-4H-chromene-3-carbonitrile
Also Known As: A0636/0029545, 2-amino-6-[(4-bromoanilino)methylidene]-4-(4-bromophenyl)-7-oxo-4H-chromene-3-carbonitrile, (6Z)-2-amino-6-[(4-bromoanilino)methylidene]-4-(4-bromophenyl)-7-oxo-4H-chromene-3-carbonitrile, (E)-2-amino-4-(4-bromophenyl)-6-(((4-bromophenyl)imino)methyl)-7-hydroxy-4H-chromene-3-carbonitrile, 2-Amino-4-(4-bromophenyl)-6-(((4-bromophenyl)imino)methyl)-7-hydroxy-4H-chromene-3-carbonitrile
| Molecular Formula | C23H15Br2N3O2 |
|---|---|
| Molecular Weight | 522.95 g/mol |
| LogP | 5.88598 |
| Topological Polar Surface Area | 91.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 522.9531 |
| Heavy Atoms | 30 |
| Complexity | 1210.9359 |
Chemical Identifiers
| CAS Number | 339191-33-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2C3=C(C=C(C(=C3)C=NC4=CC=C(C=C4)Br)O)OC(=C2C#N)N)Br |
Product Overview
A0636/0029545 (CAS 339191-33-2), with molecular formula C23H15Br2N3O2 and molecular weight 522.95 g/mol. IUPAC: 2-amino-4-(4-bromophenyl)-6-[(4-bromophenyl)iminomethyl]-7-hydroxy-4H-chromene-3-carbonitrile.
Chemical Property Profile of A0636/0029545
Property Insights of A0636/0029545
The XLogP value of 5.88598 indicates that A0636/0029545 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.63 Ų falls within the moderate polarity range, balancing permeability and solubility for A0636/0029545. Following Lipinski's Rule of Five, A0636/0029545 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0636/0029545?
The CAS number of A0636/0029545 is 339191-33-2.
What is the molecular formula of A0636/0029545?
The molecular formula of A0636/0029545 is C23H15Br2N3O2.
What is the molecular weight of A0636/0029545?
The molecular weight of A0636/0029545 is 522.95 g/mol.
Where can I buy A0636/0029545?
You can request a quote for A0636/0029545 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0636/0029545?
Yes, KEHONG BIO provides custom synthesis services for A0636/0029545 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.