Tetrahydroalstonate d'imidazole
TL;DR: Tetrahydroalstonate d'imidazole (CAS 77754-99-5) is a chemical compound with molecular formula C23H26N4O3 and molecular weight 406.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-imidazole;(1S,15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylic acid
Also Known As: Tetrahydroalstonate d'imidazole, Tetrahydroalstonate d'imidazole [French], Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-, compd. with 1H-imidazole (1:1), 19alpha-Methyl-20alpha-16,17-didehydro-18-oxayohimban-16-carboxylic acid--1H-imidazole (1/1), OXAYOHIMBAN-16-CARBOXYLIC ACID 16,17-DIDEHYDRO-19-METHYL-,(19-A,20-A)-,COMPD. WITH 1H-IMIDAZOLE (1:1)
| Molecular Formula | C23H26N4O3 |
|---|---|
| Molecular Weight | 406.20 g/mol |
| LogP | 3.5001 |
| Topological Polar Surface Area | 94.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 406.2005 |
| Heavy Atoms | 30 |
| Complexity | 1054.2875 |
Chemical Identifiers
| CAS Number | 77754-99-5 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)O)NC5=CC=CC=C45.C1=CN=CN1 |
Product Overview
Tetrahydroalstonate d'imidazole (CAS 77754-99-5), with molecular formula C23H26N4O3 and molecular weight 406.20 g/mol. IUPAC: 1H-imidazole;(1S,15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylic acid.
Chemical Property Profile of Tetrahydroalstonate d'imidazole
Property Insights of Tetrahydroalstonate d'imidazole
The XLogP value of 3.5001 indicates that Tetrahydroalstonate d'imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrahydroalstonate d'imidazole. Following Lipinski's Rule of Five, Tetrahydroalstonate d'imidazole has 3 hydrogen bond donor(s) and 4 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 Tetrahydroalstonate d'imidazole?
The CAS number of Tetrahydroalstonate d'imidazole is 77754-99-5.
What is the molecular formula of Tetrahydroalstonate d'imidazole?
The molecular formula of Tetrahydroalstonate d'imidazole is C23H26N4O3.
What is the molecular weight of Tetrahydroalstonate d'imidazole?
The molecular weight of Tetrahydroalstonate d'imidazole is 406.20 g/mol.
Where can I buy Tetrahydroalstonate d'imidazole?
You can request a quote for Tetrahydroalstonate d'imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydroalstonate d'imidazole?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydroalstonate d'imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.