5-DTAF hydrochloride
TL;DR: 5-DTAF hydrochloride (CAS 87137-43-7) is a chemical compound with molecular formula C23H13Cl3N4O5 and molecular weight 530.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydrochloride
Also Known As: 5-DTAF hydrochloride, 5-DTAF.HCl, 5-((4 6-DICHLOROTRIAZIN-2-YL)AMINO), Sid 745464, 5-(4,6-Dichloro-s-triazin-2-ylamino)fluorescein hydrochloride
| Molecular Formula | C23H13Cl3N4O5 |
|---|---|
| Molecular Weight | 530.00 g/mol |
| LogP | 5.323 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 529.9952 |
| Heavy Atoms | 35 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 87137-43-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1NC3=NC(=NC(=N3)Cl)Cl)C(=O)OC24C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O.Cl |
| InChIKey | TZGKHPXUAULWOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-DTAF hydrochloride (CAS 87137-43-7), with molecular formula C23H13Cl3N4O5 and molecular weight 530.00 g/mol. IUPAC: 6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydrochloride.
Chemical Property Profile of 5-DTAF hydrochloride
Property Insights of 5-DTAF hydrochloride
The XLogP value of 5.323 indicates that 5-DTAF hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-DTAF hydrochloride. Following Lipinski's Rule of Five, 5-DTAF hydrochloride 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 5-DTAF hydrochloride?
The CAS number of 5-DTAF hydrochloride is 87137-43-7.
What is the molecular formula of 5-DTAF hydrochloride?
The molecular formula of 5-DTAF hydrochloride is C23H13Cl3N4O5.
What is the molecular weight of 5-DTAF hydrochloride?
The molecular weight of 5-DTAF hydrochloride is 530.00 g/mol.
Where can I buy 5-DTAF hydrochloride?
You can request a quote for 5-DTAF hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-DTAF hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5-DTAF hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.