NCI60_018827
TL;DR: NCI60_018827 (CAS 136178-60-4) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-7,7-dimethyl-1,3-dioxo-6,9-dihydrofuro[3,4-h]isochromene-5-carbonitrile
Also Known As: NCI60_018827, 4-Amino-7,7-dimethyl-1,3-dioxo-1,6,7,9-tetrahydro-3H-furo[3,4-h]isochromene-5-carbonitrile, 4-amino-7,7-dimethyl-1,3-dioxo-6,9-dihydrofuro[3,4-h]isochromene-5-carbonitrile, 6-Amino-5-cyano-3,3-dimethylisochroman-7,8-dicarboxylic anhydride, 4-amino-7,7-dimethyl-1,3-dioxo-1,6,7,9-tetrahydro-3H-furo[3,4-h]isochromen-5-yl cyanide
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 136178-60-4 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=C(C(=C2C#N)N)C(=O)OC3=O)C |
| InChIKey | HIFPDOZLKICRAD-UHFFFAOYSA-N |
Product Overview
NCI60_018827 (CAS 136178-60-4), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: 4-amino-7,7-dimethyl-1,3-dioxo-6,9-dihydrofuro[3,4-h]isochromene-5-carbonitrile.
Chemical Property Profile of NCI60_018827
Property Insights of NCI60_018827
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_018827. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_018827. Following Lipinski's Rule of Five, NCI60_018827 has 1 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 NCI60_018827?
The CAS number of NCI60_018827 is 136178-60-4.
What is the molecular formula of NCI60_018827?
The molecular formula of NCI60_018827 is C14H12N2O4.
What is the molecular weight of NCI60_018827?
The molecular weight of NCI60_018827 is 272.08 g/mol.
Where can I buy NCI60_018827?
You can request a quote for NCI60_018827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_018827?
Yes, KEHONG BIO provides custom synthesis services for NCI60_018827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.