RefChem:1094920
TL;DR: RefChem:1094920 (CAS 129658-16-8) is a chemical compound with molecular formula C22H35NO6S and molecular weight 441.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;4-methoxy-2-[3-methyl-1-(methylamino)butan-2-yl]-5-pentylsulfanylphenol
Also Known As: N-Methyl-2-(2-hydroxy-5-methoxy-4-(pentylthio)phenyl)-3-methylbutylamine maleate, Phenol, 4-methoxy-2-(2-methyl-1-((methylamino)methyl)propyl)-5-(pentylthio)-, (Z)-2-butenedioate (1:1) (salt), (E)-but-2-enedioic acid; 4-methoxy-2-[3-methyl-1-(methylamino)butan-2-yl]-5-pentylsulfanylphenol, RefChem:1094920
| Molecular Formula | C22H35NO6S |
|---|---|
| Molecular Weight | 441.22 g/mol |
| LogP | 4.3539 |
| Topological Polar Surface Area | 116.09 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 441.2185 |
| Heavy Atoms | 30 |
| Complexity | 674.4505 |
Chemical Identifiers
| CAS Number | 129658-16-8 |
|---|---|
| SMILES | CCCCCSC1=C(C=C(C(=C1)O)C(CNC)C(C)C)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1094920 (CAS 129658-16-8), with molecular formula C22H35NO6S and molecular weight 441.22 g/mol. IUPAC: (E)-but-2-enedioic acid;4-methoxy-2-[3-methyl-1-(methylamino)butan-2-yl]-5-pentylsulfanylphenol.
Chemical Property Profile of RefChem:1094920
Property Insights of RefChem:1094920
The XLogP value of 4.3539 indicates that RefChem:1094920 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1094920. Following Lipinski's Rule of Five, RefChem:1094920 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1094920?
The CAS number of RefChem:1094920 is 129658-16-8.
What is the molecular formula of RefChem:1094920?
The molecular formula of RefChem:1094920 is C22H35NO6S.
What is the molecular weight of RefChem:1094920?
The molecular weight of RefChem:1094920 is 441.22 g/mol.
Where can I buy RefChem:1094920?
You can request a quote for RefChem:1094920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1094920?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1094920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.