![CAS 740842-50-6 2-nitro-8,9-dihydro-5H-benzo[7]annulen-7(6H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/740842-50-6.gif)
CAS RN: 740842-50-6
2-nitro-8,9-dihydro-5H-benzo[7]annulen-7(6H)-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250505 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-183492
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 5g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
740842-50-6 / 3-nitro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
Basic Information
CAS
740842-50-6
Multi CAS
No
Molecular Formula
C11H11NO3
Molecular Weight
205.210000
Exact Mass
205.073893
InChI
InChI=1S/C11H11NO3/c13-11-5-2-8-1-4-10(12(14)15)7-9(8)3-6-11/h1,4,7H,2-3,5-6H2
InChIKey
YQPLEYWTKAXWAD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
54.75
TPSA
60.21
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
1.7
Consensus LogP
1.85
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 740842-71-1 7-bromo-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
7-bromo-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine
- CAS RN: 740842-71-1
- Product Code: SSC-183494
-
7-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride
- CAS RN: 740842-72-2
- Product Code: SSC-183495
-
tert-butyl 7-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate
- CAS RN: 740842-73-3
- Product Code: SSC-183496
-
7-bromo-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one
- CAS RN: 740842-84-6
- Product Code: starshine_CAS740842-84-6
- Purity/Analytical method: >99.0%
-
N-[3-[4-[4-[(Cyclohexylmethylsulfonyl)amino]butyl]piperazin-1-yl]phenyl]acetamide
- CAS RN: 740873-06-7
- Product Code: starshine_CAS740873-06-7
- Purity/Analytical method: >99.0%
-
![CAS 740842-71-1 7-bromo-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/740842-71-1.gif)
![CAS 740842-84-6 7-bromo-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/740842-84-6.gif)
![CAS 740873-06-7 N-[3-[4-[4-[(Cyclohexylmethylsulfonyl)amino]butyl]piperazin-1-yl]phenyl]acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/740873-06-7.gif)
![CAS 741191-50-4 bromophenyl)methyl]cyclopropan-1-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/741191-50-4.gif)