Indoferron
TL;DR: Indoferron (CAS 27728-33-2) is a chemical compound with molecular formula C18H16Br2N2O6 and molecular weight 513.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[carboxymethyl-[[5-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-2-hydroxy-3-methylphenyl]methyl]amino]acetic acid
Also Known As: Indoferron, NCI60_004714, Acetic acid, N-(5-(3,5-dibromo-4-oxo-2,5-cyclohexadienylideneamino)-2-hydroxy-3-methylbenzyl)iminodi-, 2-[carboxymethyl-[[5-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1, 2-[Carboxymethyl-[[5-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-2-hydroxy-3-methylphenyl]methyl]amino]aceticacid
| Molecular Formula | C18H16Br2N2O6 |
|---|---|
| Molecular Weight | 513.94 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.9355 |
| Heavy Atoms | 28 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 27728-33-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)N=C2C=C(C(=O)C(=C2)Br)Br |
| InChIKey | DHAYDAWXUHTHPV-UHFFFAOYSA-N |
Product Overview
Indoferron (CAS 27728-33-2), with molecular formula C18H16Br2N2O6 and molecular weight 513.94 g/mol. IUPAC: 2-[carboxymethyl-[[5-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-2-hydroxy-3-methylphenyl]methyl]amino]acetic acid.
Chemical Property Profile of Indoferron
Property Insights of Indoferron
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indoferron. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Indoferron. Following Lipinski's Rule of Five, Indoferron has 3 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 Indoferron?
The CAS number of Indoferron is 27728-33-2.
What is the molecular formula of Indoferron?
The molecular formula of Indoferron is C18H16Br2N2O6.
What is the molecular weight of Indoferron?
The molecular weight of Indoferron is 513.94 g/mol.
Where can I buy Indoferron?
You can request a quote for Indoferron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indoferron?
Yes, KEHONG BIO provides custom synthesis services for Indoferron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.