ChemDiv1_002324
TL;DR: ChemDiv1_002324 (CAS 313381-95-2) is a chemical compound with molecular formula C19H18BrN3O4 and molecular weight 431.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 6'-amino-5-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: ChemDiv1_002324, BAS 01108270, A0907/0042603, tert-butyl 6'-amino-5-bromo-5'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate, tert-butyl 2'-amino-5-bromo-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate
| Molecular Formula | C19H18BrN3O4 |
|---|---|
| Molecular Weight | 431.05 g/mol |
| LogP | 2.97878 |
| Topological Polar Surface Area | 114.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 431.04807 |
| Heavy Atoms | 27 |
| Complexity | 981.6494 |
Chemical Identifiers
| CAS Number | 313381-95-2 |
|---|---|
| SMILES | CC1=C(C2(C3=C(C=CC(=C3)Br)NC2=O)C(=C(O1)N)C#N)C(=O)OC(C)(C)C |
Product Overview
ChemDiv1_002324 (CAS 313381-95-2), with molecular formula C19H18BrN3O4 and molecular weight 431.05 g/mol. IUPAC: tert-butyl 6'-amino-5-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of ChemDiv1_002324
Property Insights of ChemDiv1_002324
The XLogP value of 2.97878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002324. The TPSA of 114.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002324. Following Lipinski's Rule of Five, ChemDiv1_002324 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_002324?
The CAS number of ChemDiv1_002324 is 313381-95-2.
What is the molecular formula of ChemDiv1_002324?
The molecular formula of ChemDiv1_002324 is C19H18BrN3O4.
What is the molecular weight of ChemDiv1_002324?
The molecular weight of ChemDiv1_002324 is 431.05 g/mol.
Where can I buy ChemDiv1_002324?
You can request a quote for ChemDiv1_002324 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002324?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002324 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.