ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-
TL;DR: ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1- (CAS 53413-66-4) is a chemical compound with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl)-2-cyanoprop-2-enoate
Also Known As: ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-, ethyl 3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl)-2-cyanoprop-2-enoate
| Molecular Formula | C22H23N3O5 |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.16376 |
| Heavy Atoms | 30 |
| Complexity | 730.0 |
Chemical Identifiers
| CAS Number | 53413-66-4 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C2N1CC3=CC(=C(C=C3N(C2)C(=O)C)OC)OC)C#N |
| InChIKey | YOFSTUSNRDVDFY-UHFFFAOYSA-N |
Product Overview
ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1- (CAS 53413-66-4), with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol. IUPAC: ethyl 3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl)-2-cyanoprop-2-enoate.
Chemical Property Profile of ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-
Property Insights of ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-. Following Lipinski's Rule of Five, ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1- has 0 hydrogen bond donor(s) and 6 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 ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-?
The CAS number of ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1- is 53413-66-4.
What is the molecular formula of ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-?
The molecular formula of ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1- is C22H23N3O5.
What is the molecular weight of ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-?
The molecular weight of ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1- is 409.16 g/mol.
Where can I buy ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-?
You can request a quote for ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1-?
Yes, KEHONG BIO provides custom synthesis services for ethyl (E)-3-(5-acetyl-2,3-dimethoxy-6,11-dihydropyrrolo[2,1- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.