![methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/4450/445035-81-4.webp)
methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 445035-81-4) is a chemical compound with molecular formula C18H13Cl2NO3S2 and molecular weight 424.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-{[(3,4-dichloro-1-benzothien-2-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(3,4-dichlorobenzo[b]thiophene-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[(3,4-dichlorobenzo[b]thiophen-2-yl)carbonylamino]-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate, methyl 2-{[(3,4-dichloro-1-benzothiophen-2-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C18H13Cl2NO3S2 |
|---|---|
| Molecular Weight | 424.97 g/mol |
| LogP | 5.7972 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.9714 |
| Heavy Atoms | 26 |
| Complexity | 1054.5597 |
Chemical Identifiers
| CAS Number | 445035-81-4 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=C(C4=C(S3)C=CC=C4Cl)Cl |
Product Overview
methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 445035-81-4), with molecular formula C18H13Cl2NO3S2 and molecular weight 424.97 g/mol. IUPAC: methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 5.7972 indicates that methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-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-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-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-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 445035-81-4.
What is the molecular formula of methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C18H13Cl2NO3S2.
What is the molecular weight of methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 424.97 g/mol.
Where can I buy methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-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-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.