4-(N-6-Aminohexylthioureal)fluorescein
TL;DR: 4-(N-6-Aminohexylthioureal)fluorescein (CAS 77228-88-7) is a chemical compound with molecular formula C27H27N3O5S and molecular weight 505.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-aminohexyl)-3-(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl)thiourea
Also Known As: 4-N-6-Ahtuf, 4-(N-6-Aminohexylthioureal)fluorescein, 1-(6-aminohexyl)-3-(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl)thiourea, Thiourea, N-(6-aminohexyl)-N'-(3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-6-yl)-, 3-(6-aminohexyl)-1-(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl)thiourea
| Molecular Formula | C27H27N3O5S |
|---|---|
| Molecular Weight | 505.17 g/mol |
| LogP | 4.4713 |
| Topological Polar Surface Area | 126.07 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.16714 |
| Heavy Atoms | 36 |
| Complexity | 1291.4796 |
Chemical Identifiers
| CAS Number | 77228-88-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1NC(=S)NCCCCCCN)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O |
Product Overview
4-(N-6-Aminohexylthioureal)fluorescein (CAS 77228-88-7), with molecular formula C27H27N3O5S and molecular weight 505.17 g/mol. IUPAC: 1-(6-aminohexyl)-3-(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl)thiourea.
Chemical Property Profile of 4-(N-6-Aminohexylthioureal)fluorescein
Property Insights of 4-(N-6-Aminohexylthioureal)fluorescein
The XLogP value of 4.4713 indicates that 4-(N-6-Aminohexylthioureal)fluorescein is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(N-6-Aminohexylthioureal)fluorescein. Following Lipinski's Rule of Five, 4-(N-6-Aminohexylthioureal)fluorescein has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(N-6-Aminohexylthioureal)fluorescein?
The CAS number of 4-(N-6-Aminohexylthioureal)fluorescein is 77228-88-7.
What is the molecular formula of 4-(N-6-Aminohexylthioureal)fluorescein?
The molecular formula of 4-(N-6-Aminohexylthioureal)fluorescein is C27H27N3O5S.
What is the molecular weight of 4-(N-6-Aminohexylthioureal)fluorescein?
The molecular weight of 4-(N-6-Aminohexylthioureal)fluorescein is 505.17 g/mol.
Where can I buy 4-(N-6-Aminohexylthioureal)fluorescein?
You can request a quote for 4-(N-6-Aminohexylthioureal)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-6-Aminohexylthioureal)fluorescein?
Yes, KEHONG BIO provides custom synthesis services for 4-(N-6-Aminohexylthioureal)fluorescein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.