![CAS 6729-30-2 6-bromo-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6729-30-2.gif)
CAS RN: 6729-30-2
6-bromo-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260615 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-176982
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
6729-30-2 / 6-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one
Basic Information
CAS
6729-30-2
Multi CAS
No
Molecular Formula
BC10H10ORn
Molecular Weight
240.100000
Exact Mass
238.994580
InChI
InChI=1S/C10H10BrNO/c11-8-4-2-5-9-7(8)3-1-6-10(13)12-9/h2,4-5H,1,3,6H2,(H,12,13)
InChIKey
VTTMGWBZSGXBTC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.71
TPSA
29.1
LogP / Solubility
WLOGP
2.72
MLOGP
2.4
XLogP3
2.1
Consensus LogP
2.41
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly 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)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 6729-50-6 2,3,4,5-TETRAHYDRO-BENZO[C]AZEPIN-1-ONE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
H-D-GLU(GLY-OH)-OH
- CAS RN: 6729-55-1
- Product Code: starshine_CAS6729-55-1
- Purity/Analytical method: >99.0%
-
1,4-PHENYLENE DIACRYLATE
- CAS RN: 6729-79-9
- Product Code: starshine_CAS6729-79-9
- Purity/Analytical method: >99.0%
-
-
-
4-METHYLUMBELLIFERYL-BETA-D-XYLOPYRANOSIDE
- CAS RN: 6734-33-4
- Product Code: starshine_CAS6734-33-4
- Purity/Analytical method: >99.0%
![CAS 6729-50-6 2,3,4,5-TETRAHYDRO-BENZO[C]AZEPIN-1-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6729-50-6.gif)
