CTK4B4454
TL;DR: CTK4B4454 (CAS 125602-57-5) is a chemical compound with molecular formula C30H31ClN4O6 and molecular weight 578.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;N-[2-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-amine
Also Known As: 2-(2-(4-((4-Chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)ethylamino)benzoxazole fumarate, 2-(2-(4-((4-CHLOROPHENYL)-PYRIDIN-2-YLMETHOXY)-PIPERIDIN-1-YL)ETHYLAMINO)BENZOXAZOLE FUMARATE, 2-Benzoxazolamine, N-(2-(4-((4-chlorophenyl)-2-pyridinylmethoxy)-1-piperidinyl)ethyl)-, (E)-2-butenedioate (1:1)
| Molecular Formula | C30H31ClN4O6 |
|---|---|
| Molecular Weight | 578.19 g/mol |
| LogP | 5.2705 |
| Topological Polar Surface Area | 138.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 578.19324 |
| Heavy Atoms | 41 |
| Complexity | 1387.4159 |
Chemical Identifiers
| CAS Number | 125602-57-5 |
|---|---|
| SMILES | C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCNC4=NC5=CC=CC=C5O4.C(=CC(=O)O)C(=O)O |
Product Overview
CTK4B4454 (CAS 125602-57-5), with molecular formula C30H31ClN4O6 and molecular weight 578.19 g/mol. IUPAC: but-2-enedioic acid;N-[2-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-amine.
Chemical Property Profile of CTK4B4454
Property Insights of CTK4B4454
The XLogP value of 5.2705 indicates that CTK4B4454 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.02 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4B4454. Following Lipinski's Rule of Five, CTK4B4454 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK4B4454?
The CAS number of CTK4B4454 is 125602-57-5.
What is the molecular formula of CTK4B4454?
The molecular formula of CTK4B4454 is C30H31ClN4O6.
What is the molecular weight of CTK4B4454?
The molecular weight of CTK4B4454 is 578.19 g/mol.
Where can I buy CTK4B4454?
You can request a quote for CTK4B4454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4B4454?
Yes, KEHONG BIO provides custom synthesis services for CTK4B4454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.