N-Aec-AF
TL;DR: N-Aec-AF (CAS 96733-38-9) is a chemical compound with molecular formula C23H18N2O6 and molecular weight 418.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)propanamide
Also Known As: N-Aec-AF, N-(2-Aminoethylcarbonyl)-5(6)-aminofluorescein, 3-amino-N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)propanamide, n-(3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-, A-alaninamide
| Molecular Formula | C23H18N2O6 |
|---|---|
| Molecular Weight | 418.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.1165 |
| Heavy Atoms | 31 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 96733-38-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1NC(=O)CCN)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O |
| InChIKey | XKJFDSHIDLKXTF-UHFFFAOYSA-N |
Product Overview
N-Aec-AF (CAS 96733-38-9), with molecular formula C23H18N2O6 and molecular weight 418.12 g/mol. IUPAC: 3-amino-N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)propanamide.
Chemical Property Profile of N-Aec-AF
Property Insights of N-Aec-AF
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Aec-AF. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Aec-AF. Following Lipinski's Rule of Five, N-Aec-AF has 4 hydrogen bond donor(s) and 7 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 N-Aec-AF?
The CAS number of N-Aec-AF is 96733-38-9.
What is the molecular formula of N-Aec-AF?
The molecular formula of N-Aec-AF is C23H18N2O6.
What is the molecular weight of N-Aec-AF?
The molecular weight of N-Aec-AF is 418.12 g/mol.
Where can I buy N-Aec-AF?
You can request a quote for N-Aec-AF directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Aec-AF?
Yes, KEHONG BIO provides custom synthesis services for N-Aec-AF and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.