![11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one structure](/static/products/991/99141-28-3.png)
11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one
TL;DR: 11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one (CAS 99141-28-3) is a chemical compound with molecular formula C12H9NOS and molecular weight 215.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one
Also Known As: 5H,11H-Pyrrolo[2,1-c][1,4]benzothiazepin-11-one, 11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one, 4H-9-Thia-3a-aza-benzo[f]azulen-10-one, J1.173.511H, 11-oxo-5H,11H-pyrrolo(2,1-c)(1,4)benzothiazepine
| Molecular Formula | C12H9NOS |
|---|---|
| Molecular Weight | 215.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.04048 |
| Heavy Atoms | 15 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 99141-28-3 |
|---|---|
| SMILES | C1C2=CC=CC=C2SC(=O)C3=CC=CN31 |
| InChIKey | PVPNLSYXNYJMLP-UHFFFAOYSA-N |
Product Overview
11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one (CAS 99141-28-3), with molecular formula C12H9NOS and molecular weight 215.04 g/mol. IUPAC: 11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one.
Chemical Property Profile of 11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one
Property Insights of 11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one. With a topological polar surface area (TPSA) of 47.3 Ų, 11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one has 0 hydrogen bond donor(s) and 2 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 11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one?
The CAS number of 11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one is 99141-28-3.
What is the molecular formula of 11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one?
The molecular formula of 11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one is C12H9NOS.
What is the molecular weight of 11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one?
The molecular weight of 11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one is 215.04 g/mol.
Where can I buy 11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one?
You can request a quote for 11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 11H-pyrrolo[2,1-c][1,4]benzothiazepin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.