Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(3-pyridinyl)-, 5,5-dioxide
TL;DR: Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(3-pyridinyl)-, 5,5-dioxide (CAS 74462-70-7) is a chemical compound with molecular formula C17H11ClN2O2S and molecular weight 342.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-pyridin-3-ylpyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide
Also Known As: Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(3-pyridinyl)-, 5,5-dioxide, 2-chloro-6-pyridin-3-ylpyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide, 2-Chloro-6-(pyridin-3-yl)-5H-5lambda~6~-pyrrolo[2,1-d][1,5]benzothiazepine-5,5-dione
| Molecular Formula | C17H11ClN2O2S |
|---|---|
| Molecular Weight | 342.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 60.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.02298 |
| Heavy Atoms | 23 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 74462-70-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=CC3=CC=CN3C4=C(S2(=O)=O)C=CC(=C4)Cl |
| InChIKey | YDRYAZZKNOHMNS-UHFFFAOYSA-N |
Product Overview
Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(3-pyridinyl)-, 5,5-dioxide (CAS 74462-70-7), with molecular formula C17H11ClN2O2S and molecular weight 342.02 g/mol. IUPAC: 2-chloro-6-pyridin-3-ylpyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide.
Chemical Property Profile of Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(3-pyridinyl)-, 5,5-dioxide
Property Insights of Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(3-pyridinyl)-, 5,5-dioxide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(3-pyridinyl)-, 5,5-dioxide. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(3-pyridinyl)-, 5,5-dioxide. Following Lipinski's Rule of Five, Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(3-pyridinyl)-, 5,5-dioxide has 0 hydrogen bond donor(s) and 3 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-(3-pyridinyl)-, 5,5-dioxide?
The CAS number of Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(3-pyridinyl)-, 5,5-dioxide is 74462-70-7.
What is the molecular formula of Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(3-pyridinyl)-, 5,5-dioxide?
The molecular formula of Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(3-pyridinyl)-, 5,5-dioxide is C17H11ClN2O2S.
What is the molecular weight of Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(3-pyridinyl)-, 5,5-dioxide?
The molecular weight of Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(3-pyridinyl)-, 5,5-dioxide is 342.02 g/mol.
Where can I buy Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(3-pyridinyl)-, 5,5-dioxide?
You can request a quote for Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(3-pyridinyl)-, 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-(3-pyridinyl)-, 5,5-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(2,1-d)(1,5)benzothiazepine, 2-chloro-6-(3-pyridinyl)-, 5,5-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.