ChemDiv1_002148
TL;DR: ChemDiv1_002148 (CAS 313381-87-2) is a chemical compound with molecular formula C20H10BrN3O4 and molecular weight 434.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
Also Known As: ChemDiv1_002148, BAS 01108251, BIM-0013410.P001, J2.838.883G, J3.038.870D
| Molecular Formula | C20H10BrN3O4 |
|---|---|
| Molecular Weight | 434.99 g/mol |
| LogP | 2.87998 |
| Topological Polar Surface Area | 118.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 434.98547 |
| Heavy Atoms | 28 |
| Complexity | 1351.7935 |
Chemical Identifiers
| CAS Number | 313381-87-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C(=O)O2)C4(C5=C(C=CC(=C5)Br)NC4=O)C(=C(O3)N)C#N |
Product Overview
ChemDiv1_002148 (CAS 313381-87-2), with molecular formula C20H10BrN3O4 and molecular weight 434.99 g/mol. IUPAC: 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile.
Chemical Property Profile of ChemDiv1_002148
Property Insights of ChemDiv1_002148
The XLogP value of 2.87998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002148. The TPSA of 118.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002148. Following Lipinski's Rule of Five, ChemDiv1_002148 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 ChemDiv1_002148?
The CAS number of ChemDiv1_002148 is 313381-87-2.
What is the molecular formula of ChemDiv1_002148?
The molecular formula of ChemDiv1_002148 is C20H10BrN3O4.
What is the molecular weight of ChemDiv1_002148?
The molecular weight of ChemDiv1_002148 is 434.99 g/mol.
Where can I buy ChemDiv1_002148?
You can request a quote for ChemDiv1_002148 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002148?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002148 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.