![methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate structure](/static/products/4450/445034-20-8.webp)
methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate
TL;DR: methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate (CAS 445034-20-8) is a chemical compound with molecular formula C23H17NO3S2 and molecular weight 419.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate
Also Known As: methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate, methyl 2-[(1-benzothien-3-ylcarbonyl)amino]-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate, METHYL 2-(1-BENZOTHIOPHENE-3-AMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE, methyl 2-(benzo[b]thiophene-3-carboxamido)-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate, methyl 2-(benzo[b]thiophen-3-ylcarbonylamino)-4,5-dihydrobenzo[e]benzo[b]thiop henecarboxylate
| Molecular Formula | C23H17NO3S2 |
|---|---|
| Molecular Weight | 419.06 g/mol |
| LogP | 5.7673 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.06497 |
| Heavy Atoms | 29 |
| Complexity | 1268.3627 |
Chemical Identifiers
| CAS Number | 445034-20-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1C3=CC=CC=C3CC2)NC(=O)C4=CSC5=CC=CC=C54 |
Product Overview
methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate (CAS 445034-20-8), with molecular formula C23H17NO3S2 and molecular weight 419.06 g/mol. IUPAC: methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate.
Chemical Property Profile of methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate
Property Insights of methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate
The XLogP value of 5.7673 indicates that methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate has 1 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 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate?
The CAS number of methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate is 445034-20-8.
What is the molecular formula of methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate?
The molecular formula of methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate is C23H17NO3S2.
What is the molecular weight of methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate?
The molecular weight of methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate is 419.06 g/mol.
Where can I buy methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate?
You can request a quote for methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(1-benzothiophene-3-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.