CAS RN: 66417-26-3
METHYL 4-AMINOCINNAMATE
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.20260627 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS66417-26-3
- Purity/Analytical Methods: >99.0%
66417-26-3 / methyl 3-(4-aminophenyl)prop-2-enoate
Basic Information
CAS
66417-26-3
Multi CAS
Yes
Molecular Formula
C10H11NO2
Molecular Weight
177.200000
Exact Mass
177.078979
InChI
InChI=1S/C10H11NO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,11H2,1H3
InChIKey
HYVLKRMLVXUWQE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.9
TPSA
52.32
LogP / Solubility
WLOGP
1.45
MLOGP
1.28
XLogP3
1.9
Consensus LogP
1.54
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
2-Propenoic acid, 3-(3-hydroxyphenyl)-, Methyl ester, (2E)-
- CAS RN: 66417-46-7
- Product Code: SSC-176104
-
-
-
(S)-2-((Methylsulfonyl)oxy)propanoic acid
- CAS RN: 66423-08-3
- Product Code: starshine_CAS66423-08-3
- Purity/Analytical method: >99.0%
-
5-METHYL-2-NITROBENZYL CHLORIDE
- CAS RN: 66424-91-7
- Product Code: starshine_CAS66424-91-7
- Purity/Analytical method: >99.0%
