Asp f I
TL;DR: Asp f I (CAS 66180-23-2) is a chemical compound with molecular formula C27H26N4O6 and molecular weight 502.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2,2-dimethyl-3'-[2-(2-methylpropanoyl)-4-oxoquinazolin-3-yl]spiro[3aH-imidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione
Also Known As: Asp f I, 1-Hydroxy-2,2-dimethyl-4'-[2-(2-methylpropanoyl)-4-oxoquinazolin-3(4H)-yl]-1,9a-dihydrospiro[imidazo[1,2-a]indole-9,2'-oxolane]-3,5'(2H)-dione, 3-hydroxy-2,2-dimethyl-3'-(2-(2-methylpropanoyl)-4-oxoquinazolin-3-yl)spiro(3aH-imidazo(1,2-a)indole-4,5'-oxolane)-1,2'-dione, 3-hydroxy-2,2-dimethyl-3'-[2-(2-methylpropanoyl)-4-oxoquinazolin-3-yl]spiro[3aH-imidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione, Spiro(furan-2(5H),9'-(9H)imidazo(1,2-a)indole)- 3',5(2'H)-dione, 1',3,4,9'a-tetrahydro-1'-hydroxy-2',2'-dimethyl-4-(2-(2-methyl-1-oxopropyl)-4-oxo-3(4H)-quinazolinyl)-, (2S,4R,9'aS)-
| Molecular Formula | C27H26N4O6 |
|---|---|
| Molecular Weight | 502.19 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 502.18524 |
| Heavy Atoms | 37 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 66180-23-2 |
|---|---|
| SMILES | CC(C)C(=O)C1=NC2=CC=CC=C2C(=O)N1C3CC4(C5N(C6=CC=CC=C64)C(=O)C(N5O)(C)C)OC3=O |
| InChIKey | YLDPIHLIWYLZID-UHFFFAOYSA-N |
Product Overview
Asp f I (CAS 66180-23-2), with molecular formula C27H26N4O6 and molecular weight 502.19 g/mol. IUPAC: 3-hydroxy-2,2-dimethyl-3'-[2-(2-methylpropanoyl)-4-oxoquinazolin-3-yl]spiro[3aH-imidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione.
Chemical Property Profile of Asp f I
Property Insights of Asp f I
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Asp f I. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Asp f I. Following Lipinski's Rule of Five, Asp f I has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Asp f I?
The CAS number of Asp f I is 66180-23-2.
What is the molecular formula of Asp f I?
The molecular formula of Asp f I is C27H26N4O6.
What is the molecular weight of Asp f I?
The molecular weight of Asp f I is 502.19 g/mol.
Where can I buy Asp f I?
You can request a quote for Asp f I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asp f I?
Yes, KEHONG BIO provides custom synthesis services for Asp f I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.