![CAS 3648-86-0 7-METHOXY-2,3,4,5-TETRAHYDRO-BENZO[C]AZEPIN-1-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/3648-86-0.gif)
CAS RN: 3648-86-0
7-METHOXY-2,3,4,5-TETRAHYDRO-BENZO[C]AZEPIN-1-ONE
- Product code: SSC-143683
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
3648-86-0 / 7-methoxy-2,3,4,5-tetrahydro-2-benzazepin-1-one
Basic Information
CAS
3648-86-0
Multi CAS
No
Molecular Formula
C11H13NO2
Molecular Weight
191.230000
Exact Mass
191.094629
InChI
InChI=1S/C11H13NO2/c1-14-9-4-5-10-8(7-9)3-2-6-12-11(10)13/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKey
UHZFXZPXSCTPSC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.65
TPSA
38.33
LogP / Solubility
WLOGP
1.37
MLOGP
1.21
XLogP3
1.6
Consensus LogP
1.39
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 3649-42-1 5,6,7,8-Tetrahydropyrido[2,3-D]Pyrimidin-4(3H)-One molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
5,6,7,8-Tetrahydropyrido[2,3-D]Pyrimidin-4(3H)-One
- CAS RN: 3649-42-1
- Product Code: SSC-143687
-
COSTIC ACID
- CAS RN: 3650-43-9
- Product Code: starshine_CAS3650-43-9
- Purity/Analytical method: >99.0%
-
D-GLUCOSE ETHYLENEDITHIOACETAL 97
- CAS RN: 3650-65-5
- Product Code: starshine_CAS3650-65-5
- Purity/Analytical method: >99.0%
-
3-BroMocinnaMic acid Methyl eater
- CAS RN: 3650-77-9
- Product Code: starshine_CAS3650-77-9
- Purity/Analytical method: >99.0%
-
-
5-CARBOXYCYTOSINE
- CAS RN: 3650-93-9
- Product Code: starshine_CAS3650-93-9
- Purity/Analytical method: >99.0%
![CAS 3649-42-1 5,6,7,8-Tetrahydropyrido[2,3-D]Pyrimidin-4(3H)-One molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/3649-42-1.gif)
