Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride
TL;DR: Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride (CAS 74116-93-1) is a chemical compound with molecular formula C22H28ClN3O and molecular weight 385.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)butan-1-one;hydrochloride
Also Known As: Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride, 4-(Dimethylamino)-1-(6-methyl-1,2-dihydroindolo[1,7-ab][1,5]benzodiazepin-7(6H)-yl)butan-1-one--hydrogen chloride (1/1), RefChem:326158
| Molecular Formula | C22H28ClN3O |
|---|---|
| Molecular Weight | 385.19 g/mol |
| LogP | 4.552 |
| Topological Polar Surface Area | 26.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.19208 |
| Heavy Atoms | 27 |
| Complexity | 836.0576 |
Chemical Identifiers
| CAS Number | 74116-93-1 |
|---|---|
| SMILES | CC1C2=CC=CC3=C2N(CC3)C4=CC=CC=C4N1C(=O)CCCN(C)C.Cl |
Product Overview
Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride (CAS 74116-93-1), with molecular formula C22H28ClN3O and molecular weight 385.19 g/mol. IUPAC: 4-(dimethylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)butan-1-one;hydrochloride.
Chemical Property Profile of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride
Property Insights of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride
The XLogP value of 4.552 indicates that Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.79 Ų, Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride has 0 hydrogen bond donor(s) and 3 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 Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride?
The CAS number of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride is 74116-93-1.
What is the molecular formula of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride?
The molecular formula of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride is C22H28ClN3O.
What is the molecular weight of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride?
The molecular weight of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride is 385.19 g/mol.
Where can I buy Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride?
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Does KEHONG BIO offer custom synthesis for Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.