4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid
TL;DR: 4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid (CAS 85563-15-1) is a chemical compound with molecular formula C27H21Br4NO8 and molecular weight 802.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[carboxymethyl-[[2-hydroxy-3-methyl-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-methylphenyl)-3-oxo-2-benzofuran-1-yl]phenyl]methyl]amino]acetic acid
Also Known As: BP-Ida, 4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid, 2-[carboxymethyl-[[2-hydroxy-3-methyl-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-methylphenyl)-3-oxo-2-benzofuran-1-yl]phenyl]methyl]amino]acetic acid, 2,2'-[[2-Hydroxy-3-methyl-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-methylphenyl)-3-oxo-1,3-dihydroisobenzofuran-1-yl]benzyl]azanediyl]diacetic Acid, Glycine, N-(carboxymethyl)-N-((2-hydroxy-3-methyl-5-(4,5,6,7-tetrabromo-1,3-dihydro-1-(4-hydroxy-3-methylphenyl)-3-oxo-1-isobenzofuranyl)phenyl)methyl)-
| Molecular Formula | C27H21Br4NO8 |
|---|---|
| Molecular Weight | 802.80 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 802.80005 |
| Heavy Atoms | 40 |
| Complexity | 959.0 |
Chemical Identifiers
| CAS Number | 85563-15-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)C |
| InChIKey | FUUVMYKRXAJJQG-UHFFFAOYSA-N |
Product Overview
4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid (CAS 85563-15-1), with molecular formula C27H21Br4NO8 and molecular weight 802.80 g/mol. IUPAC: 2-[carboxymethyl-[[2-hydroxy-3-methyl-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-methylphenyl)-3-oxo-2-benzofuran-1-yl]phenyl]methyl]amino]acetic acid.
Chemical Property Profile of 4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid
Property Insights of 4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid
The XLogP value of 4.1 indicates that 4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting 4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid has 4 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 4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid?
The CAS number of 4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid is 85563-15-1.
What is the molecular formula of 4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid?
The molecular formula of 4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid is C27H21Br4NO8.
What is the molecular weight of 4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid?
The molecular weight of 4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid is 802.80 g/mol.
Where can I buy 4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid?
You can request a quote for 4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.