![2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole structure](/static/products/879/87992-62-9.png)
2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole
TL;DR: 2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole (CAS 87992-62-9) 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.
2-iodo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Also Known As: 2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole, 2-iodo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide, 2-[4-(iodoacetamido)phenyl]-6-methylbenzo[d]thiazole, Acetamide, 2-iodo-N-[4-(6-methyl-2-benzothiazolyl)phenyl]-, 2-(4-(Iodoacetamido)phenyl)-6-methylbenzothiazole
| Molecular Formula | C16H13IN2OS |
|---|---|
| Molecular Weight | 407.98 g/mol |
| LogP | 4.64522 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.97934 |
| Heavy Atoms | 21 |
| Complexity | 795.6471 |
Chemical Identifiers
| CAS Number | 87992-62-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CI |
Product Overview
2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole (CAS 87992-62-9), with molecular formula C16H13IN2OS and molecular weight 407.98 g/mol. IUPAC: 2-iodo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.
Chemical Property Profile of 2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole
Property Insights of 2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole
The XLogP value of 4.64522 indicates that 2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, 2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole has 1 hydrogen bond donor(s) and 3 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 2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole?
The CAS number of 2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole is 87992-62-9.
What is the molecular formula of 2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole?
The molecular formula of 2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole is C16H13IN2OS.
What is the molecular weight of 2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole?
The molecular weight of 2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole is 407.98 g/mol.
Where can I buy 2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole?
You can request a quote for 2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(Iodoacetamido)phenyl]-6-methylbenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.