Kobe 2602
TL;DR: Kobe 2602 (CAS 454458-22-1) is a chemical compound with molecular formula C14H9F4N5O4S and molecular weight 419.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-(4-fluorophenyl)thiourea
Also Known As: Kobe 2602, kobe2602?, EX-A369, 2-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)hydrazinecarbothioamide, s6527
| Molecular Formula | C14H9F4N5O4S |
|---|---|
| Molecular Weight | 419.03 g/mol |
| LogP | 3.9744 |
| Topological Polar Surface Area | 122.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.03113 |
| Heavy Atoms | 28 |
| Complexity | 901.3143 |
Chemical Identifiers
| CAS Number | 454458-22-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F |
Product Overview
Kobe 2602 (CAS 454458-22-1), with molecular formula C14H9F4N5O4S and molecular weight 419.03 g/mol. IUPAC: 1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-(4-fluorophenyl)thiourea.
Chemical Property Profile of Kobe 2602
Property Insights of Kobe 2602
The XLogP value of 3.9744 indicates that Kobe 2602 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Kobe 2602. Following Lipinski's Rule of Five, Kobe 2602 has 3 hydrogen bond donor(s) and 6 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 Kobe 2602?
The CAS number of Kobe 2602 is 454458-22-1.
What is the molecular formula of Kobe 2602?
The molecular formula of Kobe 2602 is C14H9F4N5O4S.
What is the molecular weight of Kobe 2602?
The molecular weight of Kobe 2602 is 419.03 g/mol.
Where can I buy Kobe 2602?
You can request a quote for Kobe 2602 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kobe 2602?
Yes, KEHONG BIO provides custom synthesis services for Kobe 2602 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.