BRN 4898815
TL;DR: BRN 4898815 (CAS 139032-33-0) is a chemical compound with molecular formula C35H31N7O2S and molecular weight 613.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-1-[(4-methylpiperazin-1-yl)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-((4-methyl-1-piperazinyl)methyl)-3-((5-((4-phenoxyphenyl)azo)-4-phenyl-2-thiazolyl)imino)-, BRN 4898815
| Molecular Formula | C35H31N7O2S |
|---|---|
| Molecular Weight | 613.23 g/mol |
| LogP | 7.6901 |
| Topological Polar Surface Area | 85.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 613.226 |
| Heavy Atoms | 45 |
| Complexity | 1848.4601 |
Chemical Identifiers
| CAS Number | 139032-33-0 |
|---|---|
| SMILES | CN1CCN(CC1)CN2C3=CC=CC=C3/C(=N\C4=NC(=C(S4)N=NC5=CC=C(C=C5)OC6=CC=CC=C6)C7=CC=CC=C7)/C2=O |
Product Overview
BRN 4898815 (CAS 139032-33-0), with molecular formula C35H31N7O2S and molecular weight 613.23 g/mol. IUPAC: (3E)-1-[(4-methylpiperazin-1-yl)methyl]-3-[[5-[(4-phenoxyphenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]imino]indol-2-one.
Chemical Property Profile of BRN 4898815
Property Insights of BRN 4898815
The XLogP value of 7.6901 indicates that BRN 4898815 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 4898815. Following Lipinski's Rule of Five, BRN 4898815 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRN 4898815?
The CAS number of BRN 4898815 is 139032-33-0.
What is the molecular formula of BRN 4898815?
The molecular formula of BRN 4898815 is C35H31N7O2S.
What is the molecular weight of BRN 4898815?
The molecular weight of BRN 4898815 is 613.23 g/mol.
Where can I buy BRN 4898815?
You can request a quote for BRN 4898815 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 4898815?
Yes, KEHONG BIO provides custom synthesis services for BRN 4898815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.