Xli 093 hydrate
TL;DR: Xli 093 hydrate (CAS 7237-96-9) is a chemical compound with molecular formula C33H26N6O6 and molecular weight 602.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Also Known As: Xli 093 hydrate, Xli 093, XLi093, 2, 3-(8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate, 3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaen-5-yl}carbonyloxy)propyl 12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylate
| Molecular Formula | C33H26N6O6 |
|---|---|
| Molecular Weight | 602.19 g/mol |
| LogP | 2.5957 |
| Topological Polar Surface Area | 128.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 602.1914 |
| Heavy Atoms | 45 |
| Complexity | 1849.006 |
Chemical Identifiers
| CAS Number | 7237-96-9 |
|---|---|
| SMILES | CN1CC2=C(N=CN2C3=C(C1=O)C=C(C=C3)C#C)C(=O)OCCCOC(=O)C4=C5CN(C(=O)C6=C(N5C=N4)C=CC(=C6)C#C)C |
Product Overview
Xli 093 hydrate (CAS 7237-96-9), with molecular formula C33H26N6O6 and molecular weight 602.19 g/mol. IUPAC: 3-(8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate.
Chemical Property Profile of Xli 093 hydrate
Property Insights of Xli 093 hydrate
The XLogP value of 2.5957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xli 093 hydrate. The TPSA of 128.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Xli 093 hydrate. Following Lipinski's Rule of Five, Xli 093 hydrate has 0 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 Xli 093 hydrate?
The CAS number of Xli 093 hydrate is 7237-96-9.
What is the molecular formula of Xli 093 hydrate?
The molecular formula of Xli 093 hydrate is C33H26N6O6.
What is the molecular weight of Xli 093 hydrate?
The molecular weight of Xli 093 hydrate is 602.19 g/mol.
Where can I buy Xli 093 hydrate?
You can request a quote for Xli 093 hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xli 093 hydrate?
Yes, KEHONG BIO provides custom synthesis services for Xli 093 hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.