BAS 00598418
TL;DR: BAS 00598418 (CAS 304479-09-2) is a chemical compound with molecular formula C15H11BrN4O3 and molecular weight 374.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-5-methyl-3-[(2-nitrophenyl)diazenyl]-1H-indol-2-ol
Also Known As: BAS 00598418, 4-bromo-5-methyl-3-[(2-nitrophenyl)hydrazono]-1,3-dihydro-2H-indol-2-one, 4-bromo-5-methyl-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one, 4-bromo-5-methyl-1H-indole-2,3-dione 3-({2-nitrophenyl}hydrazone), (3E)-4-bromo-5-methyl-1H-indole-2,3-dione 3-[(2-nitrophenyl)hydrazone]
| Molecular Formula | C15H11BrN4O3 |
|---|---|
| Molecular Weight | 374.00 g/mol |
| LogP | 5.26802 |
| Topological Polar Surface Area | 103.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.00146 |
| Heavy Atoms | 23 |
| Complexity | 949.29016 |
Chemical Identifiers
| CAS Number | 304479-09-2 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)NC(=C2N=NC3=CC=CC=C3[N+](=O)[O-])O)Br |
Product Overview
BAS 00598418 (CAS 304479-09-2), with molecular formula C15H11BrN4O3 and molecular weight 374.00 g/mol. IUPAC: 4-bromo-5-methyl-3-[(2-nitrophenyl)diazenyl]-1H-indol-2-ol.
Chemical Property Profile of BAS 00598418
Property Insights of BAS 00598418
The XLogP value of 5.26802 indicates that BAS 00598418 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.88 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00598418. Following Lipinski's Rule of Five, BAS 00598418 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 BAS 00598418?
The CAS number of BAS 00598418 is 304479-09-2.
What is the molecular formula of BAS 00598418?
The molecular formula of BAS 00598418 is C15H11BrN4O3.
What is the molecular weight of BAS 00598418?
The molecular weight of BAS 00598418 is 374.00 g/mol.
Where can I buy BAS 00598418?
You can request a quote for BAS 00598418 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00598418?
Yes, KEHONG BIO provides custom synthesis services for BAS 00598418 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.