9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-chlorophenyl)-, (S)-
TL;DR: 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-chlorophenyl)-, (S)- (CAS 106106-72-3) is a chemical compound with molecular formula C20H15BrClN3O and molecular weight 427.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-14-bromo-5-(3-chlorophenyl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one
Also Known As: 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-chlorophenyl)-, (S)-, 2-Amino-4,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxamide, (13aS)-8-Bromo-1-(3-chlorophenyl)-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepin-9-one, RefChem:313530
| Molecular Formula | C20H15BrClN3O |
|---|---|
| Molecular Weight | 427.01 g/mol |
| LogP | 5.2459 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 427.0087 |
| Heavy Atoms | 26 |
| Complexity | 1045.2856 |
Chemical Identifiers
| CAS Number | 106106-72-3 |
|---|---|
| SMILES | C1C[C@H]2C3=C(N=CN3C4=C(C(=CC=C4)Br)C(=O)N2C1)C5=CC(=CC=C5)Cl |
Product Overview
9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-chlorophenyl)-, (S)- (CAS 106106-72-3), with molecular formula C20H15BrClN3O and molecular weight 427.01 g/mol. IUPAC: (7S)-14-bromo-5-(3-chlorophenyl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one.
Chemical Property Profile of 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-chlorophenyl)-, (S)-
Property Insights of 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-chlorophenyl)-, (S)-
The XLogP value of 5.2459 indicates that 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-chlorophenyl)-, (S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-chlorophenyl)-, (S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-chlorophenyl)-, (S)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-chlorophenyl)-, (S)-?
The CAS number of 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-chlorophenyl)-, (S)- is 106106-72-3.
What is the molecular formula of 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-chlorophenyl)-, (S)-?
The molecular formula of 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-chlorophenyl)-, (S)- is C20H15BrClN3O.
What is the molecular weight of 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-chlorophenyl)-, (S)-?
The molecular weight of 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-chlorophenyl)-, (S)- is 427.01 g/mol.
Where can I buy 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-chlorophenyl)-, (S)-?
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Does KEHONG BIO offer custom synthesis for 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-chlorophenyl)-, (S)-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-chlorophenyl)-, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.