![2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1) structure](/static/products/7157/71576-41-5.webp)
2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1)
TL;DR: 2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1) (CAS 71576-41-5) is a chemical compound with molecular formula C20H23N3O4 and molecular weight 369.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;17-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene
Also Known As: 2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1)
| Molecular Formula | C20H23N3O4 |
|---|---|
| Molecular Weight | 369.17 g/mol |
| LogP | 2.05 |
| Topological Polar Surface Area | 86.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.16885 |
| Heavy Atoms | 27 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 71576-41-5 |
|---|---|
| SMILES | CN1CCN2C(C1)C3=CC=CN3CC4=CC=CC=C42.C(=CC(=O)O)C(=O)O |
| InChIKey | JJTOHZLQMBVMPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1) (CAS 71576-41-5), with molecular formula C20H23N3O4 and molecular weight 369.17 g/mol. IUPAC: but-2-enedioic acid;17-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene.
Chemical Property Profile of 2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1)
Property Insights of 2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1)
The XLogP value of 2.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1). The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, 2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1) has 2 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 2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1)?
The CAS number of 2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1) is 71576-41-5.
What is the molecular formula of 2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1)?
The molecular formula of 2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1) is C20H23N3O4.
What is the molecular weight of 2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1)?
The molecular weight of 2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1) is 369.17 g/mol.
Where can I buy 2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1)?
You can request a quote for 2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine,1,3,4,14b-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.