4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
TL;DR: 4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CAS 681156-85-4) is a chemical compound with molecular formula C21H24N2OS and molecular weight 352.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
Also Known As: F0536-0128, 4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide, 4-tert-butyl-N-[(2E)-3,4,6-trimethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide, (E)-4-(tert-butyl)-N-(3,4,6-trimethylbenzo[d]thiazol-2(3H)-ylidene)benzamide
| Molecular Formula | C21H24N2OS |
|---|---|
| Molecular Weight | 352.16 g/mol |
| LogP | 4.89524 |
| Topological Polar Surface Area | 34.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.16095 |
| Heavy Atoms | 25 |
| Complexity | 1014.9612 |
Chemical Identifiers
| CAS Number | 681156-85-4 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)SC(=NC(=O)C3=CC=C(C=C3)C(C)(C)C)N2C)C |
Product Overview
4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CAS 681156-85-4), with molecular formula C21H24N2OS and molecular weight 352.16 g/mol. IUPAC: 4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
Chemical Property Profile of 4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
Property Insights of 4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
The XLogP value of 4.89524 indicates that 4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.36 Ų, 4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has 0 hydrogen bond donor(s) and 2 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-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The CAS number of 4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is 681156-85-4.
What is the molecular formula of 4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The molecular formula of 4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is C21H24N2OS.
What is the molecular weight of 4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The molecular weight of 4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is 352.16 g/mol.
Where can I buy 4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
You can request a quote for 4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.