4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide
TL;DR: 4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide (CAS 86004-83-3) is a chemical compound with molecular formula C19H22ClN3OS and molecular weight 375.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2-benzothiazol-3-yl)-4-(dimethylamino)-2-phenylbutanamide;hydrochloride
Also Known As: PM2A, 4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide, 2-(1,2-benzothiazol-3-yl)-4-(dimethylamino)-2-phenylbutanamide;hydrochloride, 1,2-Benzisothiazole-3-acetamide, alpha-(2-(dimethylamino)ethyl)-alpha-phenyl-, monohydrochloride, 2-(1,2-benzothiazol-3-yl)-4-(dimethylamino)-2-phenylbutanamide hydrochloride
| Molecular Formula | C19H22ClN3OS |
|---|---|
| Molecular Weight | 375.12 g/mol |
| LogP | 3.4412 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.11722 |
| Heavy Atoms | 25 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 86004-83-3 |
|---|---|
| SMILES | CN(C)CCC(C1=CC=CC=C1)(C2=NSC3=CC=CC=C32)C(=O)N.Cl |
| InChIKey | WVKNYBCYDZQHOC-UHFFFAOYSA-N |
Product Overview
4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide (CAS 86004-83-3), with molecular formula C19H22ClN3OS and molecular weight 375.12 g/mol. IUPAC: 2-(1,2-benzothiazol-3-yl)-4-(dimethylamino)-2-phenylbutanamide;hydrochloride.
Chemical Property Profile of 4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide
Property Insights of 4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide
The XLogP value of 3.4412 indicates that 4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide. Following Lipinski's Rule of Five, 4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide 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 4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide?
The CAS number of 4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide is 86004-83-3.
What is the molecular formula of 4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide?
The molecular formula of 4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide is C19H22ClN3OS.
What is the molecular weight of 4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide?
The molecular weight of 4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide is 375.12 g/mol.
Where can I buy 4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide?
You can request a quote for 4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide?
Yes, KEHONG BIO provides custom synthesis services for 4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.