![1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid structure](/static/products/1278/127876-89-5.webp)
1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid
TL;DR: 1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid (CAS 127876-89-5) is a chemical compound with molecular formula C21H25NO5S and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid
Also Known As: 2-(Phenylsulfinyl)-N,N,alpha-trimethylbenzeneethanamine (Z)-2-butenedioate (1:1)
| Molecular Formula | C21H25NO5S |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | 3.0577 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.14536 |
| Heavy Atoms | 28 |
| Complexity | 817.6994 |
Chemical Identifiers
| CAS Number | 127876-89-5 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1S(=O)C2=CC=CC=C2)N(C)C.C(=CC(=O)O)C(=O)O |
Product Overview
1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid (CAS 127876-89-5), with molecular formula C21H25NO5S and molecular weight 403.15 g/mol. IUPAC: 1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid.
Chemical Property Profile of 1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid
Property Insights of 1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid
The XLogP value of 3.0577 indicates that 1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid 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 1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid. Following Lipinski's Rule of Five, 1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid has 2 hydrogen bond donor(s) and 4 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 1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid?
The CAS number of 1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid is 127876-89-5.
What is the molecular formula of 1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid?
The molecular formula of 1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid is C21H25NO5S.
What is the molecular weight of 1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid?
The molecular weight of 1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid is 403.15 g/mol.
Where can I buy 1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid?
You can request a quote for 1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(benzenesulfinyl)phenyl]-N,N-dimethylpropan-2-amine;but-2-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.