ChemDiv1_002236
TL;DR: ChemDiv1_002236 (CAS 330158-86-6) is a chemical compound with molecular formula C22H17BrN2O5 and molecular weight 468.03 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-2-oxo-6'-phenylspiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: ChemDiv1_002236, BAS 01108254, methyl 3'-acetyl-6'-amino-5-bromo-2-oxo-2'-phenylspiro[indoline-3,4'-pyran]-5'-carboxylate, methyl 5'-acetyl-2'-amino-5-bromo-2-oxo-6'-phenyl-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate, methyl 5'-acetyl-2'-amino-5-bromo-2-oxo-6'-phenylspiro[1H-indole-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C22H17BrN2O5 |
|---|---|
| Molecular Weight | 468.03 g/mol |
| LogP | 3.0128 |
| Topological Polar Surface Area | 107.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.03207 |
| Heavy Atoms | 30 |
| Complexity | 1169.3053 |
Chemical Identifiers
| CAS Number | 330158-86-6 |
|---|---|
| SMILES | CC(=O)C1=C(OC(=C(C12C3=C(C=CC(=C3)Br)NC2=O)C(=O)OC)N)C4=CC=CC=C4 |
Product Overview
ChemDiv1_002236 (CAS 330158-86-6), with molecular formula C22H17BrN2O5 and molecular weight 468.03 g/mol. IUPAC: methyl 5'-acetyl-2'-amino-5-bromo-2-oxo-6'-phenylspiro[1H-indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of ChemDiv1_002236
Property Insights of ChemDiv1_002236
The XLogP value of 3.0128 indicates that ChemDiv1_002236 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_002236. Following Lipinski's Rule of Five, ChemDiv1_002236 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_002236?
The CAS number of ChemDiv1_002236 is 330158-86-6.
What is the molecular formula of ChemDiv1_002236?
The molecular formula of ChemDiv1_002236 is C22H17BrN2O5.
What is the molecular weight of ChemDiv1_002236?
The molecular weight of ChemDiv1_002236 is 468.03 g/mol.
Where can I buy ChemDiv1_002236?
You can request a quote for ChemDiv1_002236 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002236?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002236 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.