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 |
933735-99-0 / (3-methyl-1H-indol-5-yl)methanamine
Basic Information
CAS
933735-99-0
Multi CAS
No
Molecular Formula
C10H12N2
Molecular Weight
160.220000
Exact Mass
160.100048
InChI
InChI=1S/C10H12N2/c1-7-6-12-10-3-2-8(5-11)4-9(7)10/h2-4,6,12H,5,11H2,1H3
InChIKey
HIWFCEOSGGFKOP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
50.93
TPSA
41.81
LogP / Solubility
WLOGP
1.94
MLOGP
1.7
XLogP3
1.5
Consensus LogP
1.71
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
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 933736-80-2 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 2-methyl- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 2-methyl-
- CAS RN: 933736-80-2
- Product Code: SSC-207483
-
-
-
-
-
1H-BenziMidazole-7-carboxaldehyde, 2-(trifluoroMethyl)-
- CAS RN: 933741-41-4
- Product Code: starshine_CAS933741-41-4
- Purity/Analytical method: >99.0%
![CAS 933736-80-2 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 2-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/933736-80-2.gif)
![CAS 933737-25-8 1-[(1,3-thiazol-4-yl)methyl]piperazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/933737-25-8.gif)
