![Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate structure](/static/products/1023/1023870-05-4.webp)
Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate
TL;DR: Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate (CAS 1023870-05-4) is a chemical compound with molecular formula C18H12Cl2N2O3S2 and molecular weight 437.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3,6-dichloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate
Also Known As: Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate, methyl 4-[(3,6-dichloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate, Methyl 4-[(3,6-dichlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzoate, Methyl 4-{[(3,6-dichloro-1-benzothiophene-2-carbonyl)carbamothioyl]amino}benzoate
| Molecular Formula | C18H12Cl2N2O3S2 |
|---|---|
| Molecular Weight | 437.97 g/mol |
| LogP | 5.1215 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.96664 |
| Heavy Atoms | 27 |
| Complexity | 1048.6914 |
Chemical Identifiers
| CAS Number | 1023870-05-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl |
Product Overview
Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate (CAS 1023870-05-4), with molecular formula C18H12Cl2N2O3S2 and molecular weight 437.97 g/mol. IUPAC: methyl 4-[(3,6-dichloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate
Property Insights of Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate
The XLogP value of 5.1215 indicates that Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]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 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate?
The CAS number of Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate is 1023870-05-4.
What is the molecular formula of Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate?
The molecular formula of Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate is C18H12Cl2N2O3S2.
What is the molecular weight of Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate?
The molecular weight of Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate is 437.97 g/mol.
Where can I buy Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate?
You can request a quote for Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.