CAS RN: 24310-35-8
1,2,3,4-Tetrahydro-8-methoxy-2-(4-methylphenylsulfonyl)-5H-2-benzazepin-5-one
- Product code: SSC-118493
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 | Beijing | Inquiry |
24310-35-8 / 8-methoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2-benzazepin-5-one
Basic Information
CAS
24310-35-8
Multi CAS
Yes
Molecular Formula
C18H19NO4S
Molecular Weight
345.400000
Exact Mass
345.103479
InChI
InChI=1S/C18H19NO4S/c1-13-3-6-16(7-4-13)24(21,22)19-10-9-18(20)17-8-5-15(23-2)11-14(17)12-19/h3-8,11H,9-10,12H2,1-2H3
InChIKey
TZEPTLAJPCWPEQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
90.72
TPSA
63.68
LogP / Solubility
WLOGP
2.78
MLOGP
2.46
XLogP3
2.4
Consensus LogP
2.55
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 24310-36-9 1-(TOLUENE-4-SULFONYL)-1,2,3,4-TETRAHYDROBENZO[B]AZEPIN-5-ONE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-(TOLUENE-4-SULFONYL)-1,2,3,4-TETRAHYDROBENZO[B]AZEPIN-5-ONE
- CAS RN: 24310-36-9
- Product Code: SSC-118494
-
3-Hydroxybutyramide
- CAS RN: 24311-45-3
- Product Code: starshine_CAS24311-45-3
- Purity/Analytical method: >99.0%
-
2-PENTANONE-1,1,1,3,3-D5
- CAS RN: 24313-49-3
- Product Code: starshine_CAS24313-49-3
- Purity/Analytical method: >99.0%
-
2-BUTANONE-1,1,1,3,3-D5
- CAS RN: 24313-50-6
- Product Code: starshine_CAS24313-50-6
- Purity/Analytical method: >99.0%
-
2,7-difluorofluoren-9-one
- CAS RN: 24313-53-9
- Product Code: starshine_CAS24313-53-9
- Purity/Analytical method: >99.0%
-
![CAS 24310-36-9 1-(TOLUENE-4-SULFONYL)-1,2,3,4-TETRAHYDROBENZO[B]AZEPIN-5-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24310-36-9.gif)
