![methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate structure](/static/products/7019/701924-85-8.webp)
methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate
TL;DR: methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate (CAS 701924-85-8) is a chemical compound with molecular formula C20H18BrN3O4S3 and molecular weight 538.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate
Also Known As: methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate, methyl 2-[({2-[(4-bromophenyl)sulfonyl]hydrazino}thioxomethyl)amino]-5-benzylt hiophene-3-carboxylate, methyl 5-benzyl-2-(2-((4-bromophenyl)sulfonyl)hydrazinecarbothioamido)thiophene-3-carboxylate, methyl 5-benzyl-2-[({2-[(4-bromophenyl)sulfonyl]hydrazinyl}carbonothioyl)amino]thiophene-3-carboxylate
| Molecular Formula | C20H18BrN3O4S3 |
|---|---|
| Molecular Weight | 538.96 g/mol |
| LogP | 4.0679 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 538.9643 |
| Heavy Atoms | 31 |
| Complexity | 1180.1389 |
Chemical Identifiers
| CAS Number | 701924-85-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNS(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate (CAS 701924-85-8), with molecular formula C20H18BrN3O4S3 and molecular weight 538.96 g/mol. IUPAC: methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate
Property Insights of methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate
The XLogP value of 4.0679 indicates that methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate?
The CAS number of methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate is 701924-85-8.
What is the molecular formula of methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate?
The molecular formula of methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate is C20H18BrN3O4S3.
What is the molecular weight of methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate?
The molecular weight of methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate is 538.96 g/mol.
Where can I buy methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate?
You can request a quote for methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.