Tryptoquivaline H
TL;DR: Tryptoquivaline H (CAS 61949-67-5) is a chemical compound with molecular formula C22H18N4O5 and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3'R,3aS,4S)-3-hydroxy-2-methyl-3'-(4-oxoquinazolin-3-yl)spiro[2,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione
Also Known As: Tryptoquivaline H, Fumitremorgin E, Tryptoquivaline E, (2S,3'R,3aS,4S)-3-hydroxy-2-methyl-3'-(4-oxoquinazolin-3-yl)spiro[2,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione, (2S)-1 -Hydroxy-4beta-[4-oxo-3(4H)-quinazolinyl]-1 ,3,4,9 abeta-tetrahydro-2 beta-methylspiro[furan-2(5H),9 -[9H]imidazo[1,2-a]indole]-3 ,5(2 H)-dione
| Molecular Formula | C22H18N4O5 |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 418.12772 |
| Heavy Atoms | 31 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 61949-67-5 |
|---|---|
| SMILES | C[C@H]1C(=O)N2[C@@H](N1O)[C@]3(C[C@H](C(=O)O3)N4C=NC5=CC=CC=C5C4=O)C6=CC=CC=C62 |
| InChIKey | LSEZQEFBFFRCNW-TYTLQBBQSA-N |
Product Overview
Tryptoquivaline H (CAS 61949-67-5), with molecular formula C22H18N4O5 and molecular weight 418.13 g/mol. IUPAC: (2S,3'R,3aS,4S)-3-hydroxy-2-methyl-3'-(4-oxoquinazolin-3-yl)spiro[2,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione.
Chemical Property Profile of Tryptoquivaline H
Property Insights of Tryptoquivaline H
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tryptoquivaline H. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tryptoquivaline H. Following Lipinski's Rule of Five, Tryptoquivaline H has 1 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 Tryptoquivaline H?
The CAS number of Tryptoquivaline H is 61949-67-5.
What is the molecular formula of Tryptoquivaline H?
The molecular formula of Tryptoquivaline H is C22H18N4O5.
What is the molecular weight of Tryptoquivaline H?
The molecular weight of Tryptoquivaline H is 418.13 g/mol.
Where can I buy Tryptoquivaline H?
You can request a quote for Tryptoquivaline H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tryptoquivaline H?
Yes, KEHONG BIO provides custom synthesis services for Tryptoquivaline H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.