9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-methyl-1,2,4-oxadiazol-5-yl)-, (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-methyl-1,2,4-oxadiazol-5-yl)-, (S)- (CAS 99609-24-2) is a chemical compound with molecular formula C17H14BrN5O2 and molecular weight 399.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)-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-methyl-1,2,4-oxadiazol-5-yl)-, (S)-, 8-Bromo-1-(3-methyl-1,2,4-oxadiazol-5-yl)-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepin-9-one, RefChem:313531
| Molecular Formula | C17H14BrN5O2 |
|---|---|
| Molecular Weight | 399.03 g/mol |
| LogP | 3.28392 |
| Topological Polar Surface Area | 77.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 399.03308 |
| Heavy Atoms | 25 |
| Complexity | 1008.3894 |
Chemical Identifiers
| CAS Number | 99609-24-2 |
|---|---|
| SMILES | CC1=NOC(=N1)C2=C3C4CCCN4C(=O)C5=C(N3C=N2)C=CC=C5Br |
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-methyl-1,2,4-oxadiazol-5-yl)-, (S)- (CAS 99609-24-2), with molecular formula C17H14BrN5O2 and molecular weight 399.03 g/mol. IUPAC: 14-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)-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-methyl-1,2,4-oxadiazol-5-yl)-, (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-methyl-1,2,4-oxadiazol-5-yl)-, (S)-
The XLogP value of 3.28392 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-methyl-1,2,4-oxadiazol-5-yl)-, (S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-methyl-1,2,4-oxadiazol-5-yl)-, (S)-. 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-methyl-1,2,4-oxadiazol-5-yl)-, (S)- has 0 hydrogen bond donor(s) and 5 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 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-methyl-1,2,4-oxadiazol-5-yl)-, (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-methyl-1,2,4-oxadiazol-5-yl)-, (S)- is 99609-24-2.
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-methyl-1,2,4-oxadiazol-5-yl)-, (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-methyl-1,2,4-oxadiazol-5-yl)-, (S)- is C17H14BrN5O2.
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-methyl-1,2,4-oxadiazol-5-yl)-, (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-methyl-1,2,4-oxadiazol-5-yl)-, (S)- is 399.03 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-methyl-1,2,4-oxadiazol-5-yl)-, (S)-?
You can request a quote for 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-bromo-1-(3-methyl-1,2,4-oxadiazol-5-yl)-, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
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-methyl-1,2,4-oxadiazol-5-yl)-, (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-methyl-1,2,4-oxadiazol-5-yl)-, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.