Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)-
TL;DR: Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)- (CAS 106531-84-4) is a chemical compound with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-1-(6-methyl-1,3-benzothiazol-2-yl)pyrano[3,2-d]pyrazol-6-one
Also Known As: Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)-, 3,4-Dimethyl-1-(6-methyl-2-benzothiazolyl)pyrano(2,3-c)pyrazol-6(1H)-one, 1-(6-Methyl-benzothiazol-2-yl)-3,4-dimethyl-pyrano(2,3-c)pyrazol-6-(1H)-one, 3,4-Dimethyl-1-(6-methyl-1,3-benzothiazol-2-yl)pyrano[2,3-c]pyrazol-6(1H)-one, 3,4-Dimethyl-1-(6-methyl-1,3-benzothiazol-2-yl)pyrano[2,3-c]pyrazol-6(1H)-one #
| Molecular Formula | C16H13N3O2S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.07285 |
| Heavy Atoms | 22 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 106531-84-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)N3C4=C(C(=CC(=O)O4)C)C(=N3)C |
| InChIKey | MSRZHOGKCUNQIJ-UHFFFAOYSA-N |
Product Overview
Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)- (CAS 106531-84-4), with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol. IUPAC: 3,4-dimethyl-1-(6-methyl-1,3-benzothiazol-2-yl)pyrano[3,2-d]pyrazol-6-one.
Chemical Property Profile of Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)-
Property Insights of Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)-
The XLogP value of 3.7 indicates that Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)-. Following Lipinski's Rule of Five, Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)- has 0 hydrogen bond donor(s) and 5 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 Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)-?
The CAS number of Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)- is 106531-84-4.
What is the molecular formula of Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)-?
The molecular formula of Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)- is C16H13N3O2S.
What is the molecular weight of Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)-?
The molecular weight of Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)- is 311.07 g/mol.
Where can I buy Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)-?
You can request a quote for Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-methyl-2-benzothiazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.