![but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole structure](/static/products/1256/125602-49-5.webp)
but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole
TL;DR: but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole (CAS 125602-49-5) is a chemical compound with molecular formula C30H30ClN3O6S and molecular weight 595.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;2-[2-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]ethylsulfanyl]-1,3-benzoxazole
Also Known As: but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole, 2-(2-(4-((4-Chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)ethylthio)benzoxazole fumarate, Benzoxazole, 2-((2-(4-((4-chlorophenyl)-2-pyridinylmethoxy)-1-piperidinyl)ethyl)thio)-, (E)-2-butenedioate (1:1)
| Molecular Formula | C30H30ClN3O6S |
|---|---|
| Molecular Weight | 595.15 g/mol |
| LogP | 5.9507 |
| Topological Polar Surface Area | 125.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 595.15436 |
| Heavy Atoms | 41 |
| Complexity | 1390.6609 |
Chemical Identifiers
| CAS Number | 125602-49-5 |
|---|---|
| SMILES | C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCSC4=NC5=CC=CC=C5O4.C(=CC(=O)O)C(=O)O |
Product Overview
but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole (CAS 125602-49-5), with molecular formula C30H30ClN3O6S and molecular weight 595.15 g/mol. IUPAC: but-2-enedioic acid;2-[2-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]ethylsulfanyl]-1,3-benzoxazole.
Chemical Property Profile of but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole
Property Insights of but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole
The XLogP value of 5.9507 indicates that but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.99 Ų falls within the moderate polarity range, balancing permeability and solubility for but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole. Following Lipinski's Rule of Five, but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole has 2 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 but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole?
The CAS number of but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole is 125602-49-5.
What is the molecular formula of but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole?
The molecular formula of but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole is C30H30ClN3O6S.
What is the molecular weight of but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole?
The molecular weight of but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole is 595.15 g/mol.
Where can I buy but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole?
You can request a quote for but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole?
Yes, KEHONG BIO provides custom synthesis services for but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]ethylsulfanyl]benzooxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.