Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,5,5-dioxide
TL;DR: Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,5,5-dioxide (CAS 74462-65-0) is a chemical compound with molecular formula C18H11ClN2O4S and molecular weight 386.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-(4-nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide
Also Known As: Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,5,5-dioxide, 2-chloro-6-(4-nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide, 2-Chloro-6-(4-nitrophenyl)-5H-5lambda~6~-pyrrolo[2,1-d][1,5]benzothiazepine-5,5-dione
| Molecular Formula | C18H11ClN2O4S |
|---|---|
| Molecular Weight | 386.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 386.01282 |
| Heavy Atoms | 26 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 74462-65-0 |
|---|---|
| SMILES | C1=CN2C(=C1)C=C(S(=O)(=O)C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | BHGXUCUVVDQJFZ-UHFFFAOYSA-N |
Product Overview
Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,5,5-dioxide (CAS 74462-65-0), with molecular formula C18H11ClN2O4S and molecular weight 386.01 g/mol. IUPAC: 2-chloro-6-(4-nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide.
Chemical Property Profile of Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,5,5-dioxide
Property Insights of Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,5,5-dioxide
The XLogP value of 3.8 indicates that Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,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 Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,5,5-dioxide. Following Lipinski's Rule of Five, Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,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 Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,5,5-dioxide?
The CAS number of Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,5,5-dioxide is 74462-65-0.
What is the molecular formula of Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,5,5-dioxide?
The molecular formula of Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,5,5-dioxide is C18H11ClN2O4S.
What is the molecular weight of Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,5,5-dioxide?
The molecular weight of Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,5,5-dioxide is 386.01 g/mol.
Where can I buy Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,5,5-dioxide?
You can request a quote for Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,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 Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,5,5-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(4-nitrophenyl)-,5,5-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.