![5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde structure](/static/products/5341/53413-65-3.webp)
5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde
TL;DR: 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde (CAS 53413-65-3) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde
Also Known As: 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde, 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzod, 10-Acetyl-7,8-dimethoxy-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carbaldehyde
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 53413-65-3 |
|---|---|
| SMILES | CC(=O)N1CC2=CC=C(N2CC3=CC(=C(C=C31)OC)OC)C=O |
| InChIKey | FYZCRKULKFPRJQ-UHFFFAOYSA-N |
Product Overview
5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde (CAS 53413-65-3), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde.
Chemical Property Profile of 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde
Property Insights of 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde. Following Lipinski's Rule of Five, 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde has 0 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 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde?
The CAS number of 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde is 53413-65-3.
What is the molecular formula of 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde?
The molecular formula of 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde is C17H18N2O4.
What is the molecular weight of 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde?
The molecular weight of 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde is 314.13 g/mol.
Where can I buy 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde?
You can request a quote for 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.