ChemDiv3_003955
TL;DR: ChemDiv3_003955 (CAS 445222-76-4) is a chemical compound with molecular formula C23H15N3O4 and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
Also Known As: ChemDiv3_003955, IDI1_021865, 2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile, BRD-A57947704-001-01-8, 1-allyl-2'-amino-3'-cyano-1,3-dihydro-2,5'-dioxospiro[2H-indole-3,4-(4'H),(5'H)-pyrano{3,2-c}chromene]
| Molecular Formula | C23H15N3O4 |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 2.69798 |
| Topological Polar Surface Area | 109.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.10626 |
| Heavy Atoms | 30 |
| Complexity | 1395.559 |
Chemical Identifiers
| CAS Number | 445222-76-4 |
|---|---|
| SMILES | C=CCN1C2=CC=CC=C2C3(C1=O)C(=C(OC4=C3C(=O)OC5=CC=CC=C54)N)C#N |
Product Overview
ChemDiv3_003955 (CAS 445222-76-4), with molecular formula C23H15N3O4 and molecular weight 397.11 g/mol. IUPAC: 2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile.
Chemical Property Profile of ChemDiv3_003955
Property Insights of ChemDiv3_003955
The XLogP value of 2.69798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_003955. The TPSA of 109.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003955. Following Lipinski's Rule of Five, ChemDiv3_003955 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 ChemDiv3_003955?
The CAS number of ChemDiv3_003955 is 445222-76-4.
What is the molecular formula of ChemDiv3_003955?
The molecular formula of ChemDiv3_003955 is C23H15N3O4.
What is the molecular weight of ChemDiv3_003955?
The molecular weight of ChemDiv3_003955 is 397.11 g/mol.
Where can I buy ChemDiv3_003955?
You can request a quote for ChemDiv3_003955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003955?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.