RefChem:1056982
TL;DR: RefChem:1056982 (CAS 69566-91-2) is a chemical compound with molecular formula C20H29NO5S and molecular weight 395.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-(diethylamino)-1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one
Also Known As: 3-(Diethylamino)-1-(4-(ethylthio)phenyl)-2-methyl-1-propanone (E)-2-butenedioate (1:1), 1-Propanone, 3-(diethylamino)-1-(4-(ethylthio)phenyl)-2-methyl-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 3-(diethylamino)-1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one, RefChem:1056982
| Molecular Formula | C20H29NO5S |
|---|---|
| Molecular Weight | 395.18 g/mol |
| LogP | 3.671 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 395.17664 |
| Heavy Atoms | 27 |
| Complexity | 607.76416 |
Chemical Identifiers
| CAS Number | 69566-91-2 |
|---|---|
| SMILES | CCN(CC)CC(C)C(=O)C1=CC=C(C=C1)SCC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056982 (CAS 69566-91-2), with molecular formula C20H29NO5S and molecular weight 395.18 g/mol. IUPAC: (E)-but-2-enedioic acid;3-(diethylamino)-1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one.
Chemical Property Profile of RefChem:1056982
Property Insights of RefChem:1056982
The XLogP value of 3.671 indicates that RefChem:1056982 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056982. Following Lipinski's Rule of Five, RefChem:1056982 has 2 hydrogen bond donor(s) and 5 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:1056982?
The CAS number of RefChem:1056982 is 69566-91-2.
What is the molecular formula of RefChem:1056982?
The molecular formula of RefChem:1056982 is C20H29NO5S.
What is the molecular weight of RefChem:1056982?
The molecular weight of RefChem:1056982 is 395.18 g/mol.
Where can I buy RefChem:1056982?
You can request a quote for RefChem:1056982 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056982?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056982 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.