ChemDiv1_010604
TL;DR: ChemDiv1_010604 (CAS 336181-03-4) is a chemical compound with molecular formula C21H21BrN2O5 and molecular weight 460.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate
Also Known As: ChemDiv1_010604, BAS 01108291, J2.904.703K, A0907/0042604, ethyl 2-amino-5'-bromo-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate
| Molecular Formula | C21H21BrN2O5 |
|---|---|
| Molecular Weight | 460.06 g/mol |
| LogP | 3.0458 |
| Topological Polar Surface Area | 107.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 460.0634 |
| Heavy Atoms | 29 |
| Complexity | 1039.5071 |
Chemical Identifiers
| CAS Number | 336181-03-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C13C4=C(C=CC(=C4)Br)NC3=O)C(=O)CC(C2)(C)C)N |
Product Overview
ChemDiv1_010604 (CAS 336181-03-4), with molecular formula C21H21BrN2O5 and molecular weight 460.06 g/mol. IUPAC: ethyl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate.
Chemical Property Profile of ChemDiv1_010604
Property Insights of ChemDiv1_010604
The XLogP value of 3.0458 indicates that ChemDiv1_010604 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010604. Following Lipinski's Rule of Five, ChemDiv1_010604 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_010604?
The CAS number of ChemDiv1_010604 is 336181-03-4.
What is the molecular formula of ChemDiv1_010604?
The molecular formula of ChemDiv1_010604 is C21H21BrN2O5.
What is the molecular weight of ChemDiv1_010604?
The molecular weight of ChemDiv1_010604 is 460.06 g/mol.
Where can I buy ChemDiv1_010604?
You can request a quote for ChemDiv1_010604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010604?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.