![methyl 3-({2-[(2-{[2-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate structure](/static/products/866/866017-59-6.png)
methyl 3-({2-[(2-{[2-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate
TL;DR: methyl 3-({2-[(2-{[2-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate (CAS 866017-59-6) is a chemical compound with molecular formula C19H21N3O4S2 and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[2-[[2-(prop-2-enylamino)acetyl]amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate
Also Known As: methyl 3-({2-[(2-{[2-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate, methyl 3-[[2-[2-[[2-(prop-2-enylamino)acetyl]amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate, methyl 3-{2-[(2-{2-[(prop-2-en-1-yl)amino]acetamido}phenyl)sulfanyl]acetamido}thiophene-2-carboxylate, methyl3-{2-[(2-{2-[(prop-2-en-1-yl)amino]acetamido}phenyl)sulfanyl]acetamido}thiophene-2-carboxylate
| Molecular Formula | C19H21N3O4S2 |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 2.9796 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 419.09735 |
| Heavy Atoms | 28 |
| Complexity | 851.2092 |
Chemical Identifiers
| CAS Number | 866017-59-6 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NC(=O)CNCC=C |
Product Overview
methyl 3-({2-[(2-{[2-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate (CAS 866017-59-6), with molecular formula C19H21N3O4S2 and molecular weight 419.10 g/mol. IUPAC: methyl 3-[[2-[2-[[2-(prop-2-enylamino)acetyl]amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-({2-[(2-{[2-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate
Property Insights of methyl 3-({2-[(2-{[2-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate
The XLogP value of 2.9796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-({2-[(2-{[2-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-({2-[(2-{[2-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 3-({2-[(2-{[2-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate has 3 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-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate?
The CAS number of methyl 3-({2-[(2-{[2-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate is 866017-59-6.
What is the molecular formula of methyl 3-({2-[(2-{[2-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate?
The molecular formula of methyl 3-({2-[(2-{[2-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate is C19H21N3O4S2.
What is the molecular weight of methyl 3-({2-[(2-{[2-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate?
The molecular weight of methyl 3-({2-[(2-{[2-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate is 419.10 g/mol.
Where can I buy methyl 3-({2-[(2-{[2-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate?
You can request a quote for methyl 3-({2-[(2-{[2-(allylamino)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-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-({2-[(2-{[2-(allylamino)acetyl]amino}phenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.