Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl-
TL;DR: Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl- (CAS 2694-31-7) is a chemical compound with molecular formula C16H12N2OS and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-one
Also Known As: 1-Phenyl-3,3a-dihydropyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 1-phenyl-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-one, AI-204/31683023, Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl-, 1-phenyl-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-2(1H)-one
| Molecular Formula | C16H12N2OS |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.06705 |
| Heavy Atoms | 20 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 2694-31-7 |
|---|---|
| SMILES | C1C2C(=NC3=CC=CC=C3S2)N(C1=O)C4=CC=CC=C4 |
| InChIKey | FXDKDNVHQMJYBK-UHFFFAOYSA-N |
Product Overview
Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl- (CAS 2694-31-7), with molecular formula C16H12N2OS and molecular weight 280.07 g/mol. IUPAC: 1-phenyl-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-one.
Chemical Property Profile of Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl-
Property Insights of Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl-. With a topological polar surface area (TPSA) of 58.0 Ų, Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl- 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(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl-?
The CAS number of Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl- is 2694-31-7.
What is the molecular formula of Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl-?
The molecular formula of Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl- is C16H12N2OS.
What is the molecular weight of Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl-?
The molecular weight of Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl- is 280.07 g/mol.
Where can I buy Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl-?
You can request a quote for Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.