![methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate structure](/static/products/6697/669737-92-2.webp)
methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate
TL;DR: methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate (CAS 669737-92-2) is a chemical compound with molecular formula C20H17ClN2O2S2 and molecular weight 416.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-6-[(2-methyl-2,3-dihydroindole-1-carbothioyl)amino]-1-benzothiophene-2-carboxylate
Also Known As: methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate, methyl 3-chloro-6-{[(2-methylindolinyl)thioxomethyl]amino}benzo[b]thiophene-2- carboxylate, methyl 3-chloro-6-[(2-methyl-2,3-dihydroindole-1-carbothioyl)amino]-1-benzothiophene-2-carboxylate, methyl 3-chloro-6-{[(2-methyl-2,3-dihydro-1H-indol-1-yl)carbonothioyl]amino}-1-benzothiophene-2-carboxylate
| Molecular Formula | C20H17ClN2O2S2 |
|---|---|
| Molecular Weight | 416.04 g/mol |
| LogP | 5.4893 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 416.042 |
| Heavy Atoms | 27 |
| Complexity | 1063.3164 |
Chemical Identifiers
| CAS Number | 669737-92-2 |
|---|---|
| SMILES | CC1CC2=CC=CC=C2N1C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl |
Product Overview
methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate (CAS 669737-92-2), with molecular formula C20H17ClN2O2S2 and molecular weight 416.04 g/mol. IUPAC: methyl 3-chloro-6-[(2-methyl-2,3-dihydroindole-1-carbothioyl)amino]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate
Property Insights of methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate
The XLogP value of 5.4893 indicates that methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 4 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-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate?
The CAS number of methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate is 669737-92-2.
What is the molecular formula of methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate?
The molecular formula of methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate is C20H17ClN2O2S2.
What is the molecular weight of methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate?
The molecular weight of methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate is 416.04 g/mol.
Where can I buy methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate?
You can request a quote for methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-chloro-6-(2-methylindoline-1-carbothioamido)benzo[b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.