ChemDiv1_002146
TL;DR: ChemDiv1_002146 (CAS 330158-80-0) is a chemical compound with molecular formula C19H16BrN3O3 and molecular weight 413.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
Also Known As: ChemDiv1_002146, BAS 01108229, J2.503.736G, 2-amino-5'-bromo-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile, A0843/0039540
| Molecular Formula | C19H16BrN3O3 |
|---|---|
| Molecular Weight | 413.04 g/mol |
| LogP | 3.00628 |
| Topological Polar Surface Area | 105.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 413.0375 |
| Heavy Atoms | 26 |
| Complexity | 999.772 |
Chemical Identifiers
| CAS Number | 330158-80-0 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C3(C4=C(C=CC(=C4)Br)NC3=O)C(=C(O2)N)C#N)C |
Product Overview
ChemDiv1_002146 (CAS 330158-80-0), with molecular formula C19H16BrN3O3 and molecular weight 413.04 g/mol. IUPAC: 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile.
Chemical Property Profile of ChemDiv1_002146
Property Insights of ChemDiv1_002146
The XLogP value of 3.00628 indicates that ChemDiv1_002146 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002146. Following Lipinski's Rule of Five, ChemDiv1_002146 has 2 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 ChemDiv1_002146?
The CAS number of ChemDiv1_002146 is 330158-80-0.
What is the molecular formula of ChemDiv1_002146?
The molecular formula of ChemDiv1_002146 is C19H16BrN3O3.
What is the molecular weight of ChemDiv1_002146?
The molecular weight of ChemDiv1_002146 is 413.04 g/mol.
Where can I buy ChemDiv1_002146?
You can request a quote for ChemDiv1_002146 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002146?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002146 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.