RefChem:286886
TL;DR: RefChem:286886 (CAS 107047-28-9) is a chemical compound with molecular formula C40H50N8O4S and molecular weight 738.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[4-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-5-oxo-3-pyrrolidin-1-yl-4H-pyrazol-1-yl]phenyl]butanamide
Also Known As: Dihydrohydroxyph-tetrazolylthiooxopyrro&, 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[4-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-5-oxo-3-pyrrolidin-1-yl-4H-pyrazol-1-yl]phenyl]butanamide, 4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-N-[4-[4,5-dihydro-4-[[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]thio]-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]butanamide, N-[4-[4,5-Dihydro-4-[1-(4-hydroxyphenyl)-1H-tetrazol-5-ylthio]-5-oxo-3-pyrrolidino-1H-pyrazol-1-yl]phenyl]-4-(2,4-di-tert-pentylphenoxy)butyramide, DIHYDROHYDROXYPH-TETRAZOLYLTHIOOXOPYRROL ID-PYRAZOL-PH-DI-T-PEN-PHO-BUTYRAM
| Molecular Formula | C40H50N8O4S |
|---|---|
| Molecular Weight | 738.37 g/mol |
| LogP | 7.4576 |
| Topological Polar Surface Area | 138.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 738.36755 |
| Heavy Atoms | 53 |
| Complexity | 1934.6995 |
Chemical Identifiers
| CAS Number | 107047-28-9 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)N3C(=O)C(C(=N3)N4CCCC4)SC5=NN=NN5C6=CC=C(C=C6)O)C(C)(C)CC |
Product Overview
RefChem:286886 (CAS 107047-28-9), with molecular formula C40H50N8O4S and molecular weight 738.37 g/mol. IUPAC: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[4-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-5-oxo-3-pyrrolidin-1-yl-4H-pyrazol-1-yl]phenyl]butanamide.
Chemical Property Profile of RefChem:286886
Property Insights of RefChem:286886
The XLogP value of 7.4576 indicates that RefChem:286886 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:286886. Following Lipinski's Rule of Five, RefChem:286886 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:286886?
The CAS number of RefChem:286886 is 107047-28-9.
What is the molecular formula of RefChem:286886?
The molecular formula of RefChem:286886 is C40H50N8O4S.
What is the molecular weight of RefChem:286886?
The molecular weight of RefChem:286886 is 738.37 g/mol.
Where can I buy RefChem:286886?
You can request a quote for RefChem:286886 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:286886?
Yes, KEHONG BIO provides custom synthesis services for RefChem:286886 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.