![1-[2-(Benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid structure](/static/products/1278/127876-87-3.webp)
1-[2-(Benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid
TL;DR: 1-[2-(Benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid (CAS 127876-87-3) is a chemical compound with molecular formula C19H21NO5S and molecular weight 375.11404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid
Also Known As: alpha-Methyl-2-(phenylsulfinyl)benzeneethanamine (Z)-2-butenedioate (1:1)
Technical Specifications
| Molecular Formula | C19H21NO5S |
| Molecular Weight | 375.11404 g/mol |
| XLogP | 2.4548 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.11404 Da |
| Heavy Atoms | 26 |
| Complexity | 395.0 |
| SMILES | CC(CC1=CC=CC=C1S(=O)C2=CC=CC=C2)N.C(=CC(=O)O)C(=O)O |
| InChIKey | MTWVGMPPWFJEAH-UHFFFAOYSA-N |
Chemical Property Profile of 1-[2-(Benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid
Property Insights of 1-[2-(Benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid
The XLogP value of 2.4548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(Benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(Benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid. Following Lipinski's Rule of Five, 1-[2-(Benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-[2-(Benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid?
The CAS number of 1-[2-(Benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid is 127876-87-3.
What is the molecular formula of 1-[2-(Benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid?
The molecular formula of 1-[2-(Benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid is C19H21NO5S.
What is the molecular weight of 1-[2-(Benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid?
The molecular weight of 1-[2-(Benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid is 375.11404 g/mol.
Where can I buy 1-[2-(Benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid?
You can request a quote for 1-[2-(Benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[2-(Benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid?
Yes, CoreyChem provides custom synthesis services for 1-[2-(Benzenesulfinyl)phenyl]propan-2-amine;but-2-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.