ChemDiv1_002406
TL;DR: ChemDiv1_002406 (CAS 313381-70-3) is a chemical compound with molecular formula C21H24N2O7 and molecular weight 416.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O'-(2-methoxyethyl) 5-O'-propan-2-yl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: ChemDiv1_002406, BAS 01108210, 3-O'-(2-methoxyethyl) 5-O'-propan-2-yl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate, 3'-(2-methoxyethyl) 5'-propan-2-yl 2'-amino-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate, 5'-isopropyl 3'-(2-methoxyethyl) 2'-amino-1,3-dihydro-6'-methyl-2-oxospiro[2H-indole-3,4'-(4'H)-pyran]-3',5'-dicarboxylate
| Molecular Formula | C21H24N2O7 |
|---|---|
| Molecular Weight | 416.16 g/mol |
| LogP | 1.4922 |
| Topological Polar Surface Area | 126.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.15836 |
| Heavy Atoms | 30 |
| Complexity | 963.8565 |
Chemical Identifiers
| CAS Number | 313381-70-3 |
|---|---|
| SMILES | CC1=C(C2(C3=CC=CC=C3NC2=O)C(=C(O1)N)C(=O)OCCOC)C(=O)OC(C)C |
Product Overview
ChemDiv1_002406 (CAS 313381-70-3), with molecular formula C21H24N2O7 and molecular weight 416.16 g/mol. IUPAC: 3-O'-(2-methoxyethyl) 5-O'-propan-2-yl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate.
Chemical Property Profile of ChemDiv1_002406
Property Insights of ChemDiv1_002406
The XLogP value of 1.4922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002406. The TPSA of 126.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002406. Following Lipinski's Rule of Five, ChemDiv1_002406 has 2 hydrogen bond donor(s) and 8 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_002406?
The CAS number of ChemDiv1_002406 is 313381-70-3.
What is the molecular formula of ChemDiv1_002406?
The molecular formula of ChemDiv1_002406 is C21H24N2O7.
What is the molecular weight of ChemDiv1_002406?
The molecular weight of ChemDiv1_002406 is 416.16 g/mol.
Where can I buy ChemDiv1_002406?
You can request a quote for ChemDiv1_002406 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002406?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002406 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.