![CAS 736127-06-3 (4-(aminomethyl)-3-methylphenyl)(2,3,4,5-tetrahydrobenzo[b]azepin-1-yl)methanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/736127-06-3.gif)
CAS RN: 736127-06-3
(4-(aminomethyl)-3-methylphenyl)(2,3,4,5-tetrahydrobenzo[b]azepin-1-yl)methanone
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 / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-183032
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 | Hong Kong | Inquiry |
736127-06-3 / [4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
Basic Information
CAS
736127-06-3
Multi CAS
No
Molecular Formula
C19H22N2O
Molecular Weight
294.400000
Exact Mass
294.173213
InChI
InChI=1S/C19H22N2O/c1-14-12-16(9-10-17(14)13-20)19(22)21-11-5-4-7-15-6-2-3-8-18(15)21/h2-3,6,8-10,12H,4-5,7,11,13,20H2,1H3
InChIKey
SKCOMCAQFPNEHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
90.13
TPSA
46.33
LogP / Solubility
WLOGP
3.44
MLOGP
3.04
XLogP3
2.9
Consensus LogP
3.13
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 736142-26-0 1-(11bR)-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl- Pyrrolidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/736142-26-0.gif)
