Methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate
TL;DR: Methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate (CAS 865545-32-0) is a chemical compound with molecular formula C18H15IN2O3S and molecular weight 465.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate
Also Known As: F1381-1641, methyl (2E)-3-ethyl-2-[(2-iodobenzoyl)imino]-2,3-dihydro-1,3-benzothiazole-6-carboxylate, methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate, (E)-methyl 3-ethyl-2-((2-iodobenzoyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate, Methyl 3-ethyl-2-(2-iodobenzoyl)imino-benzothiazole-6-carboxylate
| Molecular Formula | C18H15IN2O3S |
|---|---|
| Molecular Weight | 465.98 g/mol |
| LogP | 3.855 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 465.9848 |
| Heavy Atoms | 25 |
| Complexity | 1036.2224 |
Chemical Identifiers
| CAS Number | 865545-32-0 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=CC=C3I |
Product Overview
Methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate (CAS 865545-32-0), with molecular formula C18H15IN2O3S and molecular weight 465.98 g/mol. IUPAC: methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of Methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate
Property Insights of Methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate
The XLogP value of 3.855 indicates that Methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, Methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate has 0 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 Methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate?
The CAS number of Methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate is 865545-32-0.
What is the molecular formula of Methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate?
The molecular formula of Methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate is C18H15IN2O3S.
What is the molecular weight of Methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate?
The molecular weight of Methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate is 465.98 g/mol.
Where can I buy Methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate?
You can request a quote for Methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-ethyl-2-(2-iodobenzoyl)imino-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.