CAS RN: 1970-56-5
4-Methoxy-N-A-Bromo-A-Methyl-Propionyl-Aniline
- Product code: SSC-092935
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 |
1970-56-5 / 2-bromo-N-(4-methoxyphenyl)-2-methylpropanamide
Basic Information
CAS
1970-56-5
Multi CAS
No
Molecular Formula
C11H14BrNO2
Molecular Weight
272.140000
Exact Mass
271.020790
SMILES
CC(C)(C(=O)NC1=CC=C(C=C1)OC)Br
InChI
InChI=1S/C11H14BrNO2/c1-11(2,12)10(14)13-8-4-6-9(15-3)7-5-8/h4-7H,1-3H3,(H,13,14)
InChIKey
GEDJDOQCLHECGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.63
TPSA
38.33
LogP / Solubility
WLOGP
2.81
MLOGP
2.48
XLogP3
2.4
Consensus LogP
2.56
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
4-DIMETHYLAMINO-1-NAPHTHALDEHYDE
- CAS RN: 1971-81-9
- Product Code: starshine_CAS1971-81-9
- Purity/Analytical method: >99.0%
-
-
