![methyl 3-({2-[(2-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate structure](/static/products/4780/478045-06-6.webp)
methyl 3-({2-[(2-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate
TL;DR: methyl 3-({2-[(2-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate (CAS 478045-06-6) is a chemical compound with molecular formula C20H25N3O4S2 and molecular weight 435.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[2-[[2-(diethylamino)acetyl]amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate
Also Known As: methyl 3-({2-[(2-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate, methyl 3-[[2-[2-[[2-(diethylamino)acetyl]amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate, methyl 3-[2-({2-[2-(diethylamino)acetamido]phenyl}sulfanyl)acetamido]thiophene-2-carboxylate, methyl3-[2-({2-[2-(diethylamino)acetamido]phenyl}sulfanyl)acetamido]thiophene-2-carboxylate, Methyl 3-[[2-[2-[(2-diethylaminoacetyl)amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate
| Molecular Formula | C20H25N3O4S2 |
|---|---|
| Molecular Weight | 435.13 g/mol |
| LogP | 3.5458 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 435.12866 |
| Heavy Atoms | 29 |
| Complexity | 849.7568 |
Chemical Identifiers
| CAS Number | 478045-06-6 |
|---|---|
| SMILES | CCN(CC)CC(=O)NC1=CC=CC=C1SCC(=O)NC2=C(SC=C2)C(=O)OC |
Product Overview
methyl 3-({2-[(2-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate (CAS 478045-06-6), with molecular formula C20H25N3O4S2 and molecular weight 435.13 g/mol. IUPAC: methyl 3-[[2-[2-[[2-(diethylamino)acetyl]amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-({2-[(2-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate
Property Insights of methyl 3-({2-[(2-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate
The XLogP value of 3.5458 indicates that methyl 3-({2-[(2-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-({2-[(2-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 3-({2-[(2-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate has 2 hydrogen bond donor(s) and 7 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-({2-[(2-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate?
The CAS number of methyl 3-({2-[(2-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate is 478045-06-6.
What is the molecular formula of methyl 3-({2-[(2-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate?
The molecular formula of methyl 3-({2-[(2-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate is C20H25N3O4S2.
What is the molecular weight of methyl 3-({2-[(2-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate?
The molecular weight of methyl 3-({2-[(2-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate is 435.13 g/mol.
Where can I buy methyl 3-({2-[(2-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate?
You can request a quote for methyl 3-({2-[(2-{[2-(diethylamino)acetyl]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-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-({2-[(2-{[2-(diethylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.