![Methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate structure](/static/products/3308/330833-50-6.webp)
Methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate
TL;DR: Methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate (CAS 330833-50-6) is a chemical compound with molecular formula C16H13IN2O3S and molecular weight 439.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate
Also Known As: methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate, AB00107255-01, methyl 2-(3-(2-iodobenzoyl)thioureido)benzoate, methyl 2-({[(2-iodobenzoyl)amino]carbothioyl}amino)benzoate, methyl 2-({[(2-iodobenzoyl)amino]carbonothioyl}amino)benzoate
| Molecular Formula | C16H13IN2O3S |
|---|---|
| Molecular Weight | 439.97 g/mol |
| LogP | 3.2046 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.96915 |
| Heavy Atoms | 23 |
| Complexity | 764.4955 |
Chemical Identifiers
| CAS Number | 330833-50-6 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=CC=C2I |
Product Overview
Methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate (CAS 330833-50-6), with molecular formula C16H13IN2O3S and molecular weight 439.97 g/mol. IUPAC: methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate
Property Insights of Methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate
The XLogP value of 3.2046 indicates that Methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate has 2 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 2-[(2-iodobenzoyl)carbamothioylamino]benzoate?
The CAS number of Methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate is 330833-50-6.
What is the molecular formula of Methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate?
The molecular formula of Methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate is C16H13IN2O3S.
What is the molecular weight of Methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate?
The molecular weight of Methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate is 439.97 g/mol.
Where can I buy Methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate?
You can request a quote for Methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.