![3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one structure](/static/products/112/112434-63-6.png)
3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one
TL;DR: 3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one (CAS 112434-63-6) is a chemical compound with molecular formula C18H16N6O4 and molecular weight 380.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-diamino-1H-pyrazole-4-carboximidoyl)-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one
Also Known As: 3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one, 3-[amino-(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methyl-pyrano[3,2-g]chromen-6-one, 3-[amino-(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one
| Molecular Formula | C18H16N6O4 |
|---|---|
| Molecular Weight | 380.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.1233 |
| Heavy Atoms | 28 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 112434-63-6 |
|---|---|
| SMILES | CC1=CC(=O)C2=C(O1)C=C3C(=C2OC)C=C(C(=N)O3)C(=N)C4=C(NN=C4N)N |
| InChIKey | PQWGSWPIXKOWIO-UHFFFAOYSA-N |
Product Overview
3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one (CAS 112434-63-6), with molecular formula C18H16N6O4 and molecular weight 380.12 g/mol. IUPAC: 3-(3,5-diamino-1H-pyrazole-4-carboximidoyl)-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one.
Chemical Property Profile of 3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one
Property Insights of 3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one. The TPSA of 173.0 Ų indicates high polarity, suggesting 3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one has 5 hydrogen bond donor(s) and 9 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 3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one?
The CAS number of 3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one is 112434-63-6.
What is the molecular formula of 3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one?
The molecular formula of 3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one is C18H16N6O4.
What is the molecular weight of 3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one?
The molecular weight of 3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one is 380.12 g/mol.
Where can I buy 3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one?
You can request a quote for 3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[Amino(3,5-diaminopyrazol-4-ylidene)methyl]-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.