CTK5F6586
TL;DR: CTK5F6586 (CAS 86398-92-7) is a chemical compound with molecular formula C27H36FN3O6 and molecular weight 517.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-[2-(diethylamino)-3-propoxypropyl]-3-(4-fluorophenyl)-1-phenylurea
Also Known As: 1-(2-DIETHYLAMINO-3-PROPOXY-PROPYL)-3-(4-FLUOROPHENYL)-1-PHENYL-UREA MALEATE, N-(2-(Diethylamino)-3-propoxypropyl)-N'-(4-fluorophenyl)-N-phenylurea (E)-2-butenedioate, 1-[2-(Diethylamino)-3-propoxypropyl]-3-(4-fluorophenyl)-1-phenylurea (2E)-2-butenedioate (1:1), Urea, N-(2-(diethylamino)-3-propoxypropyl)-N'-(4-fluorophenyl)-N-phenyl-, (E)-2-butenedioate
| Molecular Formula | C27H36FN3O6 |
|---|---|
| Molecular Weight | 517.26 g/mol |
| LogP | 4.713 |
| Topological Polar Surface Area | 119.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 517.2588 |
| Heavy Atoms | 37 |
| Complexity | 965.3958 |
Chemical Identifiers
| CAS Number | 86398-92-7 |
|---|---|
| SMILES | CCCOCC(CN(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)F)N(CC)CC.C(=CC(=O)O)C(=O)O |
Product Overview
CTK5F6586 (CAS 86398-92-7), with molecular formula C27H36FN3O6 and molecular weight 517.26 g/mol. IUPAC: but-2-enedioic acid;1-[2-(diethylamino)-3-propoxypropyl]-3-(4-fluorophenyl)-1-phenylurea.
Chemical Property Profile of CTK5F6586
Property Insights of CTK5F6586
The XLogP value of 4.713 indicates that CTK5F6586 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.41 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5F6586. Following Lipinski's Rule of Five, CTK5F6586 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK5F6586?
The CAS number of CTK5F6586 is 86398-92-7.
What is the molecular formula of CTK5F6586?
The molecular formula of CTK5F6586 is C27H36FN3O6.
What is the molecular weight of CTK5F6586?
The molecular weight of CTK5F6586 is 517.26 g/mol.
Where can I buy CTK5F6586?
You can request a quote for CTK5F6586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5F6586?
Yes, KEHONG BIO provides custom synthesis services for CTK5F6586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.