Isotryptoquivaline
TL;DR: Isotryptoquivaline (CAS 61897-83-4) is a chemical compound with molecular formula C29H30N4O7 and molecular weight 546.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4R,4'S)-4'-[2-[(1R)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]-2,2-dimethyl-1,5'-dioxospiro[3aH-imidazo[1,2-a]indole-4,2'-oxolane]-3-yl] acetate
Also Known As: Isotryptoquivaline, [(3aR,4R,4'S)-4'-[2-[(1R)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]-2,2-dimethyl-1,5'-dioxospiro[3aH-imidazo[1,2-a]indole-4,2'-oxolane]-3-yl] acetate, ((3aR,4R,4'S)-4'-(2-((1R)-1-hydroxy-2-methylpropyl)-4-oxoquinazolin-3-yl)-2,2-dimethyl-1,5'-dioxospiro(3aH-imidazo(1,2-a)indole-4,2'-oxolane)-3-yl) acetate, (2'R,4'S,9aR)-4'-{2-[(1R)-1-Hydroxy-2-methylpropyl]-4-oxoquinazolin-3(4H)-yl}-2,2-dimethyl-3,5'-dioxo-2,3-dihydrospiro[imidazo[1,2-a]indole-9,2'-oxolan]-1(9aH)-yl acetate, RefChem:150086
| Molecular Formula | C29H30N4O7 |
|---|---|
| Molecular Weight | 546.21 g/mol |
| LogP | 2.7144 |
| Topological Polar Surface Area | 131.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 546.2114 |
| Heavy Atoms | 40 |
| Complexity | 1646.8269 |
Chemical Identifiers
| CAS Number | 61897-83-4 |
|---|---|
| SMILES | CC(C)[C@H](C1=NC2=CC=CC=C2C(=O)N1[C@H]3C[C@@]4([C@@H]5N(C6=CC=CC=C64)C(=O)C(N5OC(=O)C)(C)C)OC3=O)O |
Product Overview
Isotryptoquivaline (CAS 61897-83-4), with molecular formula C29H30N4O7 and molecular weight 546.21 g/mol. IUPAC: [(3aR,4R,4'S)-4'-[2-[(1R)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]-2,2-dimethyl-1,5'-dioxospiro[3aH-imidazo[1,2-a]indole-4,2'-oxolane]-3-yl] acetate.
Chemical Property Profile of Isotryptoquivaline
Property Insights of Isotryptoquivaline
The XLogP value of 2.7144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isotryptoquivaline. The TPSA of 131.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Isotryptoquivaline. Following Lipinski's Rule of Five, Isotryptoquivaline has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isotryptoquivaline?
The CAS number of Isotryptoquivaline is 61897-83-4.
What is the molecular formula of Isotryptoquivaline?
The molecular formula of Isotryptoquivaline is C29H30N4O7.
What is the molecular weight of Isotryptoquivaline?
The molecular weight of Isotryptoquivaline is 546.21 g/mol.
Where can I buy Isotryptoquivaline?
You can request a quote for Isotryptoquivaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isotryptoquivaline?
Yes, KEHONG BIO provides custom synthesis services for Isotryptoquivaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.