![2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile structure](/static/products/777/777871-79-1.png)
2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile
TL;DR: 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile (CAS 777871-79-1) is a chemical compound with molecular formula C19H17N3O4 and molecular weight 351.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile
Also Known As: 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile, 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carbonitrile, 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile, 2-amino-11-(hydroxymethyl)-7-methyl-5,12-dioxospiro[4H-6,7,8-trihydrochromene- 4,3'-indoline]-3-carbonitrile
| Molecular Formula | C19H17N3O4 |
|---|---|
| Molecular Weight | 351.12 g/mol |
| LogP | 1.19798 |
| Topological Polar Surface Area | 116.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 351.12192 |
| Heavy Atoms | 26 |
| Complexity | 955.77606 |
Chemical Identifiers
| CAS Number | 777871-79-1 |
|---|---|
| SMILES | CC1CC2=C(C(=O)C1)C3(C4=CC=CC=C4N(C3=O)CO)C(=C(O2)N)C#N |
Product Overview
2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile (CAS 777871-79-1), with molecular formula C19H17N3O4 and molecular weight 351.12 g/mol. IUPAC: 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile.
Chemical Property Profile of 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile
Property Insights of 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile
The XLogP value of 1.19798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile. The TPSA of 116.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile has 2 hydrogen bond donor(s) and 6 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 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile?
The CAS number of 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile is 777871-79-1.
What is the molecular formula of 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile?
The molecular formula of 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile is C19H17N3O4.
What is the molecular weight of 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile?
The molecular weight of 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile is 351.12 g/mol.
Where can I buy 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile?
You can request a quote for 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-1'-(hydroxymethyl)-7-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.