Calcein tetraethyl acid
TL;DR: Calcein tetraethyl acid (CAS 36352-49-5) is a chemical compound with molecular formula C30H26N2O13 and molecular weight 622.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl]methyl-(carboxymethyl)amino]acetic acid
Also Known As: Calcein tetraethyl acid, calcein, DCAF, STATOCALCEIN, Fluorescein-4',5'-bis(methyliminodiacetic acid)
| Molecular Formula | C30H26N2O13 |
|---|---|
| Molecular Weight | 622.14 g/mol |
| LogP | 1.6082 |
| Topological Polar Surface Area | 231.67 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 622.1435 |
| Heavy Atoms | 45 |
| Complexity | 1626.2839 |
Chemical Identifiers
| CAS Number | 36352-49-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)CN(CC(=O)O)CC(=O)O)OC5=C3C=CC(=C5CN(CC(=O)O)CC(=O)O)O |
Product Overview
Calcein tetraethyl acid (CAS 36352-49-5), with molecular formula C30H26N2O13 and molecular weight 622.14 g/mol. IUPAC: 2-[[5'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl]methyl-(carboxymethyl)amino]acetic acid.
Chemical Property Profile of Calcein tetraethyl acid
Property Insights of Calcein tetraethyl acid
The XLogP value of 1.6082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calcein tetraethyl acid. The TPSA of 231.67 Ų indicates high polarity, suggesting Calcein tetraethyl acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcein tetraethyl acid has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcein tetraethyl acid?
The CAS number of Calcein tetraethyl acid is 36352-49-5.
What is the molecular formula of Calcein tetraethyl acid?
The molecular formula of Calcein tetraethyl acid is C30H26N2O13.
What is the molecular weight of Calcein tetraethyl acid?
The molecular weight of Calcein tetraethyl acid is 622.14 g/mol.
Where can I buy Calcein tetraethyl acid?
You can request a quote for Calcein tetraethyl acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcein tetraethyl acid?
Yes, KEHONG BIO provides custom synthesis services for Calcein tetraethyl acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.