J1.537.412H
TL;DR: J1.537.412H (CAS 265129-72-4) is a chemical compound with molecular formula C33H40N2O3S and molecular weight 544.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-[cyclohexylcarbamoyl-[2-(4-phenylphenyl)ethyl]amino]ethyl]phenyl]sulfanyl-2-methylpropanoic acid
Also Known As: J1.537.412H, 2-[4-[2-[1-[2-(4-Biphenylyl)ethyl]-3-cyclohexylureido]ethyl]phenylthio]isobutyric acid, 2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-cyclohexyl-ureido]-ethyl}-phenylsulfanyl)-2-methyl-propionic acid, 2-[(4-{2-[(2-{[1,1'-biphenyl]-4-yl}ethyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid, 2-[[4-[2-[(2-[1,1a(2)-Biphenyl]-4-ylethyl)[(cyclohexylamino)carbonyl]amino]ethyl]phenyl]thio]-2-methylpropanoic acid
| Molecular Formula | C33H40N2O3S |
|---|---|
| Molecular Weight | 544.28 g/mol |
| LogP | 7.4384 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 544.27594 |
| Heavy Atoms | 39 |
| Complexity | 1203.9612 |
Chemical Identifiers
| CAS Number | 265129-72-4 |
|---|---|
| SMILES | CC(C)(C(=O)O)SC1=CC=C(C=C1)CCN(CCC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)NC4CCCCC4 |
Product Overview
J1.537.412H (CAS 265129-72-4), with molecular formula C33H40N2O3S and molecular weight 544.28 g/mol. IUPAC: 2-[4-[2-[cyclohexylcarbamoyl-[2-(4-phenylphenyl)ethyl]amino]ethyl]phenyl]sulfanyl-2-methylpropanoic acid.
Chemical Property Profile of J1.537.412H
Property Insights of J1.537.412H
The XLogP value of 7.4384 indicates that J1.537.412H is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.537.412H. Following Lipinski's Rule of Five, J1.537.412H has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.537.412H?
The CAS number of J1.537.412H is 265129-72-4.
What is the molecular formula of J1.537.412H?
The molecular formula of J1.537.412H is C33H40N2O3S.
What is the molecular weight of J1.537.412H?
The molecular weight of J1.537.412H is 544.28 g/mol.
Where can I buy J1.537.412H?
You can request a quote for J1.537.412H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.537.412H?
Yes, KEHONG BIO provides custom synthesis services for J1.537.412H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.