![methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate structure](/static/products/4778/477887-55-1.webp)
methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate
TL;DR: methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate (CAS 477887-55-1) is a chemical compound with molecular formula C20H17BrN2O5S3 and molecular weight 539.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[2-[(4-bromophenyl)sulfonylamino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate
Also Known As: methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate, methyl 3-[[2-[2-[(4-bromophenyl)sulfonylamino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate, methyl 3-(2-{[2-(4-bromobenzenesulfonamido)phenyl]sulfanyl}acetamido)thiophene-2-carboxylate, methyl3-(2-{[2-(4-bromobenzenesulfonamido)phenyl]sulfanyl}acetamido)thiophene-2-carboxylate
| Molecular Formula | C20H17BrN2O5S3 |
|---|---|
| Molecular Weight | 539.95 g/mol |
| LogP | 4.8288 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 539.9483 |
| Heavy Atoms | 31 |
| Complexity | 1193.5342 |
Chemical Identifiers
| CAS Number | 477887-55-1 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate (CAS 477887-55-1), with molecular formula C20H17BrN2O5S3 and molecular weight 539.95 g/mol. IUPAC: methyl 3-[[2-[2-[(4-bromophenyl)sulfonylamino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate
Property Insights of methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate
The XLogP value of 4.8288 indicates that methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.57 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate?
The CAS number of methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate is 477887-55-1.
What is the molecular formula of methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate?
The molecular formula of methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate is C20H17BrN2O5S3.
What is the molecular weight of methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate?
The molecular weight of methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate is 539.95 g/mol.
Where can I buy methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate?
You can request a quote for methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-({2-[(2-{[(4-bromophenyl)sulfonyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.