Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)-
TL;DR: Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)- (CAS 2694-32-8) is a chemical compound with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-one
Also Known As: 1-(4-Methoxyphenyl)-3,3a-dihydropyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)-, 1-(4-methoxyphenyl)-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-one, 1-(4-Methoxyphenyl)-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-2(1H)-one, BRN 1022527
| Molecular Formula | C17H14N2O2S |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.0776 |
| Heavy Atoms | 22 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 2694-32-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)CC3C2=NC4=CC=CC=C4S3 |
| InChIKey | WIEJDKDHMZHBGX-UHFFFAOYSA-N |
Product Overview
Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)- (CAS 2694-32-8), with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol. IUPAC: 1-(4-methoxyphenyl)-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-(4-methoxyphenyl)-
Property Insights of Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)-. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)-. Following Lipinski's Rule of Five, Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)- has 0 hydrogen bond donor(s) and 4 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-(4-methoxyphenyl)-?
The CAS number of Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)- is 2694-32-8.
What is the molecular formula of Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)-?
The molecular formula of Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)- is C17H14N2O2S.
What is the molecular weight of Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)-?
The molecular weight of Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)- is 310.08 g/mol.
Where can I buy Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)-?
You can request a quote for Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)- 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-(4-methoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.