N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide
TL;DR: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide (CAS 865544-04-3) is a chemical compound with molecular formula C16H13IN2OS and molecular weight 407.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide
Also Known As: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide, (E)-N-(3,4-dimethylbenzo[d]thiazol-2(3H)-ylidene)-2-iodobenzamide, F1381-0251, N-[(2E)-3,4-dimethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-iodobenzamide
| Molecular Formula | C16H13IN2OS |
|---|---|
| Molecular Weight | 407.98 g/mol |
| LogP | 3.89392 |
| Topological Polar Surface Area | 34.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 407.97934 |
| Heavy Atoms | 21 |
| Complexity | 908.0261 |
Chemical Identifiers
| CAS Number | 865544-04-3 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=CC=C3I)N2C |
Product Overview
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide (CAS 865544-04-3), with molecular formula C16H13IN2OS and molecular weight 407.98 g/mol. IUPAC: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide.
Chemical Property Profile of N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide
Property Insights of N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide
The XLogP value of 3.89392 indicates that N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.36 Ų, N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide 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 N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide?
The CAS number of N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide is 865544-04-3.
What is the molecular formula of N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide?
The molecular formula of N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide is C16H13IN2OS.
What is the molecular weight of N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide?
The molecular weight of N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide is 407.98 g/mol.
Where can I buy N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide?
You can request a quote for N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.