4-(N-2-aminoethylthioureal)fluorescein
TL;DR: 4-(N-2-aminoethylthioureal)fluorescein (CAS 77228-87-6) is a chemical compound with molecular formula C23H19N3O5S and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-aminoethyl)-3-(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl)thiourea
Also Known As: 4-N-Aetuf, 4-(N-2-Aminoethylthioureal)fluorescein, 1-(2-aminoethyl)-3-(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl)thiourea, Thiourea, N-(2-aminoethyl)-N'-(3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-6-yl)-, 3-(2-aminoethyl)-1-(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl)thiourea
| Molecular Formula | C23H19N3O5S |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 2.9109 |
| Topological Polar Surface Area | 126.07 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.10455 |
| Heavy Atoms | 32 |
| Complexity | 1224.9818 |
Chemical Identifiers
| CAS Number | 77228-87-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1NC(=S)NCCN)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O |
Product Overview
4-(N-2-aminoethylthioureal)fluorescein (CAS 77228-87-6), with molecular formula C23H19N3O5S and molecular weight 449.10 g/mol. IUPAC: 1-(2-aminoethyl)-3-(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl)thiourea.
Chemical Property Profile of 4-(N-2-aminoethylthioureal)fluorescein
Property Insights of 4-(N-2-aminoethylthioureal)fluorescein
The XLogP value of 2.9109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(N-2-aminoethylthioureal)fluorescein. The TPSA of 126.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(N-2-aminoethylthioureal)fluorescein. Following Lipinski's Rule of Five, 4-(N-2-aminoethylthioureal)fluorescein has 5 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 4-(N-2-aminoethylthioureal)fluorescein?
The CAS number of 4-(N-2-aminoethylthioureal)fluorescein is 77228-87-6.
What is the molecular formula of 4-(N-2-aminoethylthioureal)fluorescein?
The molecular formula of 4-(N-2-aminoethylthioureal)fluorescein is C23H19N3O5S.
What is the molecular weight of 4-(N-2-aminoethylthioureal)fluorescein?
The molecular weight of 4-(N-2-aminoethylthioureal)fluorescein is 449.10 g/mol.
Where can I buy 4-(N-2-aminoethylthioureal)fluorescein?
You can request a quote for 4-(N-2-aminoethylthioureal)fluorescein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(N-2-aminoethylthioureal)fluorescein?
Yes, KEHONG BIO provides custom synthesis services for 4-(N-2-aminoethylthioureal)fluorescein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.