ChemDiv1_003606
TL;DR: ChemDiv1_003606 (CAS 310457-27-3) is a chemical compound with molecular formula C17H10BrN3O4 and molecular weight 398.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-amino-5-bromo-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
Also Known As: ChemDiv1_003606, A0843/0039543, 2'-amino-5-bromo-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile, 2'-amino-5-bromo-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile, 2'-AMINO-5-BROMO-7'-METHYL-2,5'-DIOXO-1,2-DIHYDRO-5'H-SPIRO[INDOLE-3,4'-PYRANO[3,2-C]PYRAN]-3'-CARBONITRILE
| Molecular Formula | C17H10BrN3O4 |
|---|---|
| Molecular Weight | 398.99 g/mol |
| LogP | 2.0352 |
| Topological Polar Surface Area | 118.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 398.98547 |
| Heavy Atoms | 25 |
| Complexity | 1096.0474 |
Chemical Identifiers
| CAS Number | 310457-27-3 |
|---|---|
| SMILES | CC1=CC2=C(C(=O)O1)C3(C4=C(C=CC(=C4)Br)NC3=O)C(=C(O2)N)C#N |
Product Overview
ChemDiv1_003606 (CAS 310457-27-3), with molecular formula C17H10BrN3O4 and molecular weight 398.99 g/mol. IUPAC: 2'-amino-5-bromo-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile.
Chemical Property Profile of ChemDiv1_003606
Property Insights of ChemDiv1_003606
The XLogP value of 2.0352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_003606. The TPSA of 118.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003606. Following Lipinski's Rule of Five, ChemDiv1_003606 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_003606?
The CAS number of ChemDiv1_003606 is 310457-27-3.
What is the molecular formula of ChemDiv1_003606?
The molecular formula of ChemDiv1_003606 is C17H10BrN3O4.
What is the molecular weight of ChemDiv1_003606?
The molecular weight of ChemDiv1_003606 is 398.99 g/mol.
Where can I buy ChemDiv1_003606?
You can request a quote for ChemDiv1_003606 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003606?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003606 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.