BRN 4898061
TL;DR: BRN 4898061 (CAS 139032-34-1) is a chemical compound with molecular formula C37H28N6O2S and molecular weight 620.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-1-[(N-methylanilino)methyl]-3-[[5-[(4-phenoxyphenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]imino]indol-2-one
Also Known As: 2H-Indol-2-one, 1,3-dihydro-1-((methylphenylamino)methyl)-3-((5-((4-phenoxyphenyl)azo)-4-phenyl-2-thiazolyl)imino)-, BRN 4898061
| Molecular Formula | C37H28N6O2S |
|---|---|
| Molecular Weight | 620.20 g/mol |
| LogP | 9.5791 |
| Topological Polar Surface Area | 82.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 620.19946 |
| Heavy Atoms | 46 |
| Complexity | 2027.8632 |
Chemical Identifiers
| CAS Number | 139032-34-1 |
|---|---|
| SMILES | CN(CN1C2=CC=CC=C2/C(=N\C3=NC(=C(S3)N=NC4=CC=C(C=C4)OC5=CC=CC=C5)C6=CC=CC=C6)/C1=O)C7=CC=CC=C7 |
Product Overview
BRN 4898061 (CAS 139032-34-1), with molecular formula C37H28N6O2S and molecular weight 620.20 g/mol. IUPAC: (3E)-1-[(N-methylanilino)methyl]-3-[[5-[(4-phenoxyphenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]imino]indol-2-one.
Chemical Property Profile of BRN 4898061
Property Insights of BRN 4898061
The XLogP value of 9.5791 indicates that BRN 4898061 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 4898061. Following Lipinski's Rule of Five, BRN 4898061 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRN 4898061?
The CAS number of BRN 4898061 is 139032-34-1.
What is the molecular formula of BRN 4898061?
The molecular formula of BRN 4898061 is C37H28N6O2S.
What is the molecular weight of BRN 4898061?
The molecular weight of BRN 4898061 is 620.20 g/mol.
Where can I buy BRN 4898061?
You can request a quote for BRN 4898061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 4898061?
Yes, KEHONG BIO provides custom synthesis services for BRN 4898061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.