N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide
TL;DR: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide (CAS 1164539-43-8) is a chemical compound with molecular formula C17H12BrN3O2S2 and molecular weight 432.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide
Also Known As: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide, 5-bromo-N-[(2Z)-6-acetamido-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide, (Z)-N-(6-acetamido-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-5-bromothiophene-2-carboxamide, N-(6-acetamido-3-prop-2-ynyl-benzothiazol-2-ylidene)-5-bromo-thiophene-2-carboxamide
| Molecular Formula | C17H12BrN3O2S2 |
|---|---|
| Molecular Weight | 432.96 g/mol |
| LogP | 3.8595 |
| Topological Polar Surface Area | 63.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.95544 |
| Heavy Atoms | 25 |
| Complexity | 1085.437 |
Chemical Identifiers
| CAS Number | 1164539-43-8 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)Br)S2)CC#C |
Product Overview
N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide (CAS 1164539-43-8), with molecular formula C17H12BrN3O2S2 and molecular weight 432.96 g/mol. IUPAC: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide.
Chemical Property Profile of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide
Property Insights of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide
The XLogP value of 3.8595 indicates that N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.46 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide. Following Lipinski's Rule of Five, N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide has 1 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 N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide?
The CAS number of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide is 1164539-43-8.
What is the molecular formula of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide?
The molecular formula of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide is C17H12BrN3O2S2.
What is the molecular weight of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide?
The molecular weight of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide is 432.96 g/mol.
Where can I buy N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide?
You can request a quote for N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.