Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1)
TL;DR: Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1) (CAS 28740-72-9) is a chemical compound with molecular formula C22H21ClN4O4 and molecular weight 440.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,9-pentaene);perchloric acid
Also Known As: Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1), 3,4-Dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepine perchlorate (2:1), 4,5-Dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepine hemiperchlorate, pyrrolo benzodiazepine,3,4-dihydro-,perchlorate, Pyrrolo benzodiazepine,3,4-dihydro-,perchlorate
| Molecular Formula | C22H21ClN4O4 |
|---|---|
| Molecular Weight | 440.13 g/mol |
| LogP | 0.0236 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 440.12512 |
| Heavy Atoms | 31 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 28740-72-9 |
|---|---|
| SMILES | C1CN2C=CC3=C2C(=CC=C3)C=N1.C1CN2C=CC3=C2C(=CC=C3)C=N1.OCl(=O)(=O)=O |
| InChIKey | UEXKESFFJVUKEE-UHFFFAOYSA-N |
Product Overview
Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1) (CAS 28740-72-9), with molecular formula C22H21ClN4O4 and molecular weight 440.13 g/mol. IUPAC: bis(1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,9-pentaene);perchloric acid.
Chemical Property Profile of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1)
Property Insights of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1)
The XLogP value of 0.0236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1). The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1). Following Lipinski's Rule of Five, Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1) has 1 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 Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1)?
The CAS number of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1) is 28740-72-9.
What is the molecular formula of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1)?
The molecular formula of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1) is C22H21ClN4O4.
What is the molecular weight of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1)?
The molecular weight of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1) is 440.13 g/mol.
Where can I buy Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1)?
You can request a quote for Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.