![Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide structure](/static/products/800/80008-60-2.png)
Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide
TL;DR: Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide (CAS 80008-60-2) is a chemical compound with molecular formula C13H10N2OS and molecular weight 242.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide
Also Known As: Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide, Pyrrolo(2,1-d)(1,5)benzothiazepine-6-carboxamide
| Molecular Formula | C13H10N2OS |
|---|---|
| Molecular Weight | 242.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 73.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.05139 |
| Heavy Atoms | 17 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 80008-60-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C=CC=C3C=C(S2)C(=O)N |
| InChIKey | ZOZOUSKRHGOQHO-UHFFFAOYSA-N |
Product Overview
Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide (CAS 80008-60-2), with molecular formula C13H10N2OS and molecular weight 242.05 g/mol. IUPAC: pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide.
Chemical Property Profile of Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide
Property Insights of Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide. The TPSA of 73.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide. Following Lipinski's Rule of Five, Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide has 1 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]benzothiazepine-6-carboxamide?
The CAS number of Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide is 80008-60-2.
What is the molecular formula of Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide?
The molecular formula of Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide is C13H10N2OS.
What is the molecular weight of Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide?
The molecular weight of Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide is 242.05 g/mol.
Where can I buy Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide?
You can request a quote for Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide 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-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.