Pyrrolo(2,1-d)(1,5)benzothiazepin-7(6H)-one
TL;DR: Pyrrolo(2,1-d)(1,5)benzothiazepin-7(6H)-one (CAS 80008-53-3) 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.
pyrrolo[2,1-d][1,5]benzothiazepin-7-one
Also Known As: Pyrrolo(2,1-d)(1,5)benzothiazepin-7(6H)-one, pyrrolo[2,1-d][1,5]benzothiazepin-7-one, 6-Thia-10b-aza-benzo[e]azulen-4-one, Pyrrolo[2,1-d][1,5]benzothiazepin-7(6H)-one
| Molecular Formula | C12H9NOS |
|---|---|
| Molecular Weight | 215.04 g/mol |
| LogP | 2.7 |
| 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 | 80008-53-3 |
|---|---|
| SMILES | C1C(=O)C2=CC=CN2C3=CC=CC=C3S1 |
| InChIKey | WRMQVQBFXFIZIY-UHFFFAOYSA-N |
Product Overview
Pyrrolo(2,1-d)(1,5)benzothiazepin-7(6H)-one (CAS 80008-53-3), with molecular formula C12H9NOS and molecular weight 215.04 g/mol. IUPAC: pyrrolo[2,1-d][1,5]benzothiazepin-7-one.
Chemical Property Profile of Pyrrolo(2,1-d)(1,5)benzothiazepin-7(6H)-one
Property Insights of Pyrrolo(2,1-d)(1,5)benzothiazepin-7(6H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(2,1-d)(1,5)benzothiazepin-7(6H)-one. With a topological polar surface area (TPSA) of 47.3 Ų, Pyrrolo(2,1-d)(1,5)benzothiazepin-7(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(2,1-d)(1,5)benzothiazepin-7(6H)-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 Pyrrolo(2,1-d)(1,5)benzothiazepin-7(6H)-one?
The CAS number of Pyrrolo(2,1-d)(1,5)benzothiazepin-7(6H)-one is 80008-53-3.
What is the molecular formula of Pyrrolo(2,1-d)(1,5)benzothiazepin-7(6H)-one?
The molecular formula of Pyrrolo(2,1-d)(1,5)benzothiazepin-7(6H)-one is C12H9NOS.
What is the molecular weight of Pyrrolo(2,1-d)(1,5)benzothiazepin-7(6H)-one?
The molecular weight of Pyrrolo(2,1-d)(1,5)benzothiazepin-7(6H)-one is 215.04 g/mol.
Where can I buy Pyrrolo(2,1-d)(1,5)benzothiazepin-7(6H)-one?
You can request a quote for Pyrrolo(2,1-d)(1,5)benzothiazepin-7(6H)-one 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)benzothiazepin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(2,1-d)(1,5)benzothiazepin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.