METHYL CALCEIN
TL;DR: METHYL CALCEIN (CAS 84522-13-4) is a chemical compound with molecular formula C28H26N2O9 and molecular weight 534.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[7'-[[carboxymethyl(methyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-methylamino]acetic acid
Also Known As: METHYL CALCEIN, Methylcalcein, EINECS 283-008-9, Bis-N,N-glycinemethylenefluorescein, Benzene,1,3-dibromo-5-(dibromomethyl)
| Molecular Formula | C28H26N2O9 |
|---|---|
| Molecular Weight | 534.16 g/mol |
| LogP | 2.6986 |
| Topological Polar Surface Area | 157.07 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 534.1638 |
| Heavy Atoms | 39 |
| Complexity | 1437.6088 |
Chemical Identifiers
| CAS Number | 84522-13-4 |
|---|---|
| SMILES | CN(CC1=CC2=C(C=C1O)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=C(C(=C3)O)CN(C)CC(=O)O)CC(=O)O |
Product Overview
METHYL CALCEIN (CAS 84522-13-4), with molecular formula C28H26N2O9 and molecular weight 534.16 g/mol. IUPAC: 2-[[7'-[[carboxymethyl(methyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-methylamino]acetic acid.
Chemical Property Profile of METHYL CALCEIN
Property Insights of METHYL CALCEIN
The XLogP value of 2.6986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for METHYL CALCEIN. The TPSA of 157.07 Ų indicates high polarity, suggesting METHYL CALCEIN may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, METHYL CALCEIN 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 METHYL CALCEIN?
The CAS number of METHYL CALCEIN is 84522-13-4.
What is the molecular formula of METHYL CALCEIN?
The molecular formula of METHYL CALCEIN is C28H26N2O9.
What is the molecular weight of METHYL CALCEIN?
The molecular weight of METHYL CALCEIN is 534.16 g/mol.
Where can I buy METHYL CALCEIN?
You can request a quote for METHYL CALCEIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for METHYL CALCEIN?
Yes, KEHONG BIO provides custom synthesis services for METHYL CALCEIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.