ChemDiv1_002274
TL;DR: ChemDiv1_002274 (CAS 313381-64-5) is a chemical compound with molecular formula C23H28N2O6 and molecular weight 428.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O'-tert-butyl 5-O'-ethyl 2'-amino-2-oxo-6'-propylspiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: ChemDiv1_002274, BAS 01108195, 3'-tert-butyl 5'-ethyl 2'-amino-2-oxo-6'-propylspiro[indoline-3,4'-pyran]-3',5'-dicarboxylate, 3'-tert-butyl 5'-ethyl 2'-amino-2-oxo-6'-propyl-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate, 3-O'-tert-butyl 5-O'-ethyl 2'-amino-2-oxo-6'-propylspiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
| Molecular Formula | C23H28N2O6 |
|---|---|
| Molecular Weight | 428.19 g/mol |
| LogP | 3.036 |
| Topological Polar Surface Area | 116.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.19473 |
| Heavy Atoms | 31 |
| Complexity | 1001.5642 |
Chemical Identifiers
| CAS Number | 313381-64-5 |
|---|---|
| SMILES | CCCC1=C(C2(C3=CC=CC=C3NC2=O)C(=C(O1)N)C(=O)OC(C)(C)C)C(=O)OCC |
Product Overview
ChemDiv1_002274 (CAS 313381-64-5), with molecular formula C23H28N2O6 and molecular weight 428.19 g/mol. IUPAC: 3-O'-tert-butyl 5-O'-ethyl 2'-amino-2-oxo-6'-propylspiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate.
Chemical Property Profile of ChemDiv1_002274
Property Insights of ChemDiv1_002274
The XLogP value of 3.036 indicates that ChemDiv1_002274 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_002274. Following Lipinski's Rule of Five, ChemDiv1_002274 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_002274?
The CAS number of ChemDiv1_002274 is 313381-64-5.
What is the molecular formula of ChemDiv1_002274?
The molecular formula of ChemDiv1_002274 is C23H28N2O6.
What is the molecular weight of ChemDiv1_002274?
The molecular weight of ChemDiv1_002274 is 428.19 g/mol.
Where can I buy ChemDiv1_002274?
You can request a quote for ChemDiv1_002274 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002274?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002274 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.