4-Methylcoumarin-6-ylmethyliminodiacetic acid
TL;DR: 4-Methylcoumarin-6-ylmethyliminodiacetic acid (CAS 54375-47-2) is a chemical compound with molecular formula C15H15NO6 and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[carboxymethyl-[(4-methyl-2-oxochromen-6-yl)methyl]amino]acetic acid
Also Known As: Calcein Blue, EINECS 259-129-8, Cyclopropane, tetramethylmethylene-, 4-Methylcoumarin-6-ylmethyliminodiacetic acid, 2-[carboxymethyl-[(4-methyl-2-oxochromen-6-yl)methyl]amino]acetic acid
| Molecular Formula | C15H15NO6 |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | 1.07262 |
| Topological Polar Surface Area | 108.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.08994 |
| Heavy Atoms | 22 |
| Complexity | 763.1866 |
Chemical Identifiers
| CAS Number | 54375-47-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=C(C=C2)CN(CC(=O)O)CC(=O)O |
Product Overview
4-Methylcoumarin-6-ylmethyliminodiacetic acid (CAS 54375-47-2), with molecular formula C15H15NO6 and molecular weight 305.09 g/mol. IUPAC: 2-[carboxymethyl-[(4-methyl-2-oxochromen-6-yl)methyl]amino]acetic acid.
Chemical Property Profile of 4-Methylcoumarin-6-ylmethyliminodiacetic acid
Property Insights of 4-Methylcoumarin-6-ylmethyliminodiacetic acid
The XLogP value of 1.07262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylcoumarin-6-ylmethyliminodiacetic acid. The TPSA of 108.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylcoumarin-6-ylmethyliminodiacetic acid. Following Lipinski's Rule of Five, 4-Methylcoumarin-6-ylmethyliminodiacetic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Methylcoumarin-6-ylmethyliminodiacetic acid?
The CAS number of 4-Methylcoumarin-6-ylmethyliminodiacetic acid is 54375-47-2.
What is the molecular formula of 4-Methylcoumarin-6-ylmethyliminodiacetic acid?
The molecular formula of 4-Methylcoumarin-6-ylmethyliminodiacetic acid is C15H15NO6.
What is the molecular weight of 4-Methylcoumarin-6-ylmethyliminodiacetic acid?
The molecular weight of 4-Methylcoumarin-6-ylmethyliminodiacetic acid is 305.09 g/mol.
Where can I buy 4-Methylcoumarin-6-ylmethyliminodiacetic acid?
You can request a quote for 4-Methylcoumarin-6-ylmethyliminodiacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylcoumarin-6-ylmethyliminodiacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylcoumarin-6-ylmethyliminodiacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.