Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1)
TL;DR: Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1) (CAS 75643-16-2) is a chemical compound with molecular formula C29H31N3O5 and molecular weight 501.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)-1-[9-(2-phenylethyl)-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl]ethanone;oxalic acid
Also Known As: Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1), Benzo pyrrolo benzodiazepine,1,2,6,7-tetrahydro-7-( -6- -,ethanedioate, BENZO[B]PYRROLO[3,2,1-JK][1,4]BENZODIAZEPINE,1,2,6,7-TETRAHYDRO-7-((D IMETHYLAMINO)ACETYL)-6-(2-PHENYLETHYL)-,ETHANEDIOATE (1:1), Oxalic acid--2-(dimethylamino)-1-[6-(2-phenylethyl)-1,2-dihydroindolo[1,7-ab][1,5]benzodiazepin-7(6H)-yl]ethan-1-one (1/1), RefChem:326157
| Molecular Formula | C29H31N3O5 |
|---|---|
| Molecular Weight | 501.23 g/mol |
| LogP | 4.1185 |
| Topological Polar Surface Area | 101.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.22638 |
| Heavy Atoms | 37 |
| Complexity | 1279.7095 |
Chemical Identifiers
| CAS Number | 75643-16-2 |
|---|---|
| SMILES | CN(C)CC(=O)N1C(C2=CC=CC3=C2N(CC3)C4=CC=CC=C41)CCC5=CC=CC=C5.C(=O)(C(=O)O)O |
Product Overview
Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1) (CAS 75643-16-2), with molecular formula C29H31N3O5 and molecular weight 501.23 g/mol. IUPAC: 2-(dimethylamino)-1-[9-(2-phenylethyl)-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl]ethanone;oxalic acid.
Chemical Property Profile of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1)
Property Insights of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1)
The XLogP value of 4.1185 indicates that Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1). Following Lipinski's Rule of Five, Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1) has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1)?
The CAS number of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1) is 75643-16-2.
What is the molecular formula of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1)?
The molecular formula of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1) is C29H31N3O5.
What is the molecular weight of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1)?
The molecular weight of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1) is 501.23 g/mol.
Where can I buy Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1)?
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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-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-((dimethylamino)acetyl)-6-(2-phenylethyl)-, ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.