![5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯 structure](/static/products/1314/131403-82-2.webp)
5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯
TL;DR: 5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯 (CAS 131403-82-2) is a chemical compound with molecular formula C22H20N2O3S and molecular weight 392.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯
[6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] N,N-dimethylcarbamate
Also Known As: 5-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-4-ol N,N-dimethylcarbamate, [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] N,N-dimethylcarbamate, 6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl dimethylcarbamate, 6-(4-Methoxyphenyl)benzo[b]pyrrolo[1,2-d][1,4]thiazepin-7-yl dimethylcarbamate, 7-dimethylcarbamoyloxy-6-p-methoxyphenylpyrrolo<2,1-d><1,5>-benzothiazepine
| Molecular Formula | C22H20N2O3S |
|---|---|
| Molecular Weight | 392.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.11948 |
| Heavy Atoms | 28 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 131403-82-2 |
|---|---|
| SMILES | CN(C)C(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=C(C=C4)OC |
| InChIKey | RGAJIKNGJBAVQP-UHFFFAOYSA-N |
Product Overview
5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯 (CAS 131403-82-2), with molecular formula C22H20N2O3S and molecular weight 392.12 g/mol. IUPAC: [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] N,N-dimethylcarbamate.
Chemical Property Profile of 5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯
Property Insights of 5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯
The XLogP value of 4.1 indicates that 5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯. Following Lipinski's Rule of Five, 5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯 has 0 hydrogen bond donor(s) and 4 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 5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯?
The CAS number of 5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯 is 131403-82-2.
What is the molecular formula of 5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯?
The molecular formula of 5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯 is C22H20N2O3S.
What is the molecular weight of 5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯?
The molecular weight of 5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯 is 392.12 g/mol.
Where can I buy 5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯?
You can request a quote for 5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-甲氧基苯基)吡咯并[2,1-d][1,5]苯并硫氮杂䓬-4-醇N,N-二甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.