ChemDiv1_002282
TL;DR: ChemDiv1_002282 (CAS 300804-99-3) is a chemical compound with molecular formula C22H26N2O6 and molecular weight 414.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O'-tert-butyl 3-O'-propan-2-yl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: ChemDiv1_002282, AB01302120-01, A1167/0054359, 3'-TERT-BUTYL 5'-PROPAN-2-YL 6'-AMINO-2'-METHYL-2-OXO-1,2-DIHYDROSPIRO[INDOLE-3,4'-PYRAN]-3',5'-DICARBOXYLATE, 3-isopropyl 5-tert-butyl 2-amino-1',3'-dihydro-6-methyl-2'-oxospiro[4H-pyran-4,3'-(2'H)-indole]-3,5-dicarboxylate
| Molecular Formula | C22H26N2O6 |
|---|---|
| Molecular Weight | 414.18 g/mol |
| LogP | 2.6443 |
| Topological Polar Surface Area | 116.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.17908 |
| Heavy Atoms | 30 |
| Complexity | 999.1253 |
Chemical Identifiers
| CAS Number | 300804-99-3 |
|---|---|
| SMILES | CC1=C(C2(C3=CC=CC=C3NC2=O)C(=C(O1)N)C(=O)OC(C)C)C(=O)OC(C)(C)C |
Product Overview
ChemDiv1_002282 (CAS 300804-99-3), with molecular formula C22H26N2O6 and molecular weight 414.18 g/mol. IUPAC: 5-O'-tert-butyl 3-O'-propan-2-yl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate.
Chemical Property Profile of ChemDiv1_002282
Property Insights of ChemDiv1_002282
The XLogP value of 2.6443 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002282. The TPSA of 116.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002282. Following Lipinski's Rule of Five, ChemDiv1_002282 has 2 hydrogen bond donor(s) and 7 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_002282?
The CAS number of ChemDiv1_002282 is 300804-99-3.
What is the molecular formula of ChemDiv1_002282?
The molecular formula of ChemDiv1_002282 is C22H26N2O6.
What is the molecular weight of ChemDiv1_002282?
The molecular weight of ChemDiv1_002282 is 414.18 g/mol.
Where can I buy ChemDiv1_002282?
You can request a quote for ChemDiv1_002282 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002282?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002282 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.