ChemDiv1_002368
TL;DR: ChemDiv1_002368 (CAS 313381-96-3) is a chemical compound with molecular formula C17H15BrN2O5 and molecular weight 406.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5'-acetyl-2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: ChemDiv1_002368, BAS 01108271, methyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate, methyl 5'-acetyl-2'-amino-5-bromo-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate, methyl 5'-acetyl-2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C17H15BrN2O5 |
|---|---|
| Molecular Weight | 406.02 g/mol |
| LogP | 1.8755 |
| Topological Polar Surface Area | 107.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.01642 |
| Heavy Atoms | 25 |
| Complexity | 902.2993 |
Chemical Identifiers
| CAS Number | 313381-96-3 |
|---|---|
| SMILES | CC1=C(C2(C3=C(C=CC(=C3)Br)NC2=O)C(=C(O1)N)C(=O)OC)C(=O)C |
Product Overview
ChemDiv1_002368 (CAS 313381-96-3), with molecular formula C17H15BrN2O5 and molecular weight 406.02 g/mol. IUPAC: methyl 5'-acetyl-2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of ChemDiv1_002368
Property Insights of ChemDiv1_002368
The XLogP value of 1.8755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002368. The TPSA of 107.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002368. Following Lipinski's Rule of Five, ChemDiv1_002368 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_002368?
The CAS number of ChemDiv1_002368 is 313381-96-3.
What is the molecular formula of ChemDiv1_002368?
The molecular formula of ChemDiv1_002368 is C17H15BrN2O5.
What is the molecular weight of ChemDiv1_002368?
The molecular weight of ChemDiv1_002368 is 406.02 g/mol.
Where can I buy ChemDiv1_002368?
You can request a quote for ChemDiv1_002368 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002368?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002368 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.