Spectrum5_001993
TL;DR: Spectrum5_001993 (CAS 265129-71-3) is a chemical compound with molecular formula C29H46N2O3S and molecular weight 502.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-[4-cyclohexylbutyl(cyclohexylcarbamoyl)amino]ethyl]phenyl]sulfanyl-2-methylpropanoic acid
Also Known As: Spectrum5_001993, Lopac-G-6793, Lopac0_000530, Tox21_500530, 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid
| Molecular Formula | C29H46N2O3S |
|---|---|
| Molecular Weight | 502.32 g/mol |
| LogP | 7.2793 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 502.3229 |
| Heavy Atoms | 35 |
| Complexity | 783.6215 |
Chemical Identifiers
| CAS Number | 265129-71-3 |
|---|---|
| SMILES | CC(C)(C(=O)O)SC1=CC=C(C=C1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3 |
Product Overview
Spectrum5_001993 (CAS 265129-71-3), with molecular formula C29H46N2O3S and molecular weight 502.32 g/mol. IUPAC: 2-[4-[2-[4-cyclohexylbutyl(cyclohexylcarbamoyl)amino]ethyl]phenyl]sulfanyl-2-methylpropanoic acid.
Chemical Property Profile of Spectrum5_001993
Property Insights of Spectrum5_001993
The XLogP value of 7.2793 indicates that Spectrum5_001993 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 Spectrum5_001993. Following Lipinski's Rule of Five, Spectrum5_001993 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 Spectrum5_001993?
The CAS number of Spectrum5_001993 is 265129-71-3.
What is the molecular formula of Spectrum5_001993?
The molecular formula of Spectrum5_001993 is C29H46N2O3S.
What is the molecular weight of Spectrum5_001993?
The molecular weight of Spectrum5_001993 is 502.32 g/mol.
Where can I buy Spectrum5_001993?
You can request a quote for Spectrum5_001993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spectrum5_001993?
Yes, KEHONG BIO provides custom synthesis services for Spectrum5_001993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.