![6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide structure](/static/products/4309/43093-01-2.webp)
6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide
TL;DR: 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide (CAS 43093-01-2) is a chemical compound with molecular formula C18H12N2O4S and molecular weight 352.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide
Also Known As: 6-(4-nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide, Pyrrolo[2,5]benzothiazepine, 6-(4-nitrophenyl)-, 5,5-dioxide, 1-(2-chloroethyl)-4-(2-methoxyphenyl)piperazine dihydrochloride, 6-(4-nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-diox, 6-(p-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide
| Molecular Formula | C18H12N2O4S |
|---|---|
| Molecular Weight | 352.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.0518 |
| Heavy Atoms | 25 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 43093-01-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C=CC=C3C=C(S2(=O)=O)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | PMPHREALWHNQQX-UHFFFAOYSA-N |
Product Overview
6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide (CAS 43093-01-2), with molecular formula C18H12N2O4S and molecular weight 352.05 g/mol. IUPAC: 6-(4-nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide.
Chemical Property Profile of 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide
Property Insights of 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide
The XLogP value of 3.2 indicates that 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide. Following Lipinski's Rule of Five, 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide 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 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide?
The CAS number of 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide is 43093-01-2.
What is the molecular formula of 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide?
The molecular formula of 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide is C18H12N2O4S.
What is the molecular weight of 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide?
The molecular weight of 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide is 352.05 g/mol.
Where can I buy 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide?
You can request a quote for 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.