Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester
TL;DR: Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester (CAS 89110-18-9) is a chemical compound with molecular formula C18H19NO4S and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-pyrrolidin-1-yl-7bH-cyclobuta[b][1]benzothiole-2,2a-dicarboxylate
Also Known As: Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester, dimethyl 1-pyrrolidin-1-yl-7bH-cyclobuta[b][1]benzothiole-2,2a-dicarboxylate, Benzo[b]cyclobuta[d]thiophene-2,2a-dicarboxylic acid der., dimethyl 1-pyrrolidin-1-yl-7bH-cyclobuta[b][1]benzothiole-2,, (R,R/S,S)-dimethyl-1-(1-piperidynyl)cyclobuta[b][1]benzothiophene-2,2a(7bH)-dicarboxylate
| Molecular Formula | C18H19NO4S |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.1035 |
| Heavy Atoms | 24 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 89110-18-9 |
|---|---|
| SMILES | COC(=O)C1=C(C2C1(SC3=CC=CC=C23)C(=O)OC)N4CCCC4 |
| InChIKey | WEPFRJIQIIGTEM-UHFFFAOYSA-N |
Product Overview
Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester (CAS 89110-18-9), with molecular formula C18H19NO4S and molecular weight 345.10 g/mol. IUPAC: dimethyl 1-pyrrolidin-1-yl-7bH-cyclobuta[b][1]benzothiole-2,2a-dicarboxylate.
Chemical Property Profile of Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester
Property Insights of Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester. Following Lipinski's Rule of Five, Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester has 0 hydrogen bond donor(s) and 6 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 Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester?
The CAS number of Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester is 89110-18-9.
What is the molecular formula of Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester?
The molecular formula of Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester is C18H19NO4S.
What is the molecular weight of Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester?
The molecular weight of Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester is 345.10 g/mol.
Where can I buy Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester?
You can request a quote for Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)cyclobuta(d)thiophene-2,2a(7bH)-dicarboxylic acid, 1-(1-pyrrolidinyl)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.