ChemDiv1_002454
TL;DR: ChemDiv1_002454 (CAS 313381-86-1) is a chemical compound with molecular formula C23H27BrN2O6 and molecular weight 506.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ditert-butyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: ChemDiv1_002454, BAS 01108250, di-tert-butyl 2'-amino-5-bromo-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate, di-tert-butyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate, ditert-butyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
| Molecular Formula | C23H27BrN2O6 |
|---|---|
| Molecular Weight | 506.11 g/mol |
| LogP | 3.7969 |
| Topological Polar Surface Area | 116.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 506.10526 |
| Heavy Atoms | 32 |
| Complexity | 1038.6843 |
Chemical Identifiers
| CAS Number | 313381-86-1 |
|---|---|
| SMILES | CC1=C(C2(C3=C(C=CC(=C3)Br)NC2=O)C(=C(O1)N)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C |
Product Overview
ChemDiv1_002454 (CAS 313381-86-1), with molecular formula C23H27BrN2O6 and molecular weight 506.11 g/mol. IUPAC: ditert-butyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate.
Chemical Property Profile of ChemDiv1_002454
Property Insights of ChemDiv1_002454
The XLogP value of 3.7969 indicates that ChemDiv1_002454 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002454. Following Lipinski's Rule of Five, ChemDiv1_002454 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002454?
The CAS number of ChemDiv1_002454 is 313381-86-1.
What is the molecular formula of ChemDiv1_002454?
The molecular formula of ChemDiv1_002454 is C23H27BrN2O6.
What is the molecular weight of ChemDiv1_002454?
The molecular weight of ChemDiv1_002454 is 506.11 g/mol.
Where can I buy ChemDiv1_002454?
You can request a quote for ChemDiv1_002454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002454?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.