![CAS 24140-30-5 (S)-(+)-2-METHYLBUTYL P-[(P-METHOXYBENZYLIDENE)AMINO]CINNAMATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24140-30-5.gif)
CAS RN: 24140-30-5
(S)-(+)-2-METHYLBUTYL P-[(P-METHOXYBENZYLIDENE)AMINO]CINNAMATE
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS24140-30-5
- Purity/Analytical Methods: >99.0%
24140-30-5 / 2-methylbutyl 3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate
Basic Information
CAS
24140-30-5
Multi CAS
No
Molecular Formula
C22H25NO3
Molecular Weight
351.400000
Exact Mass
351.183444
SMILES
CCC(C)COC(=O)C=CC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC
InChI
InChI=1S/C22H25NO3/c1-4-17(2)16-26-22(24)14-9-18-5-10-20(11-6-18)23-15-19-7-12-21(25-3)13-8-19/h5-15,17H,4,16H2,1-3H3/b14-9+,23-15?/t17-/m0/s1
InChIKey
FKZXVOQEYXOXAD-VPCHJHAQSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
106.14
TPSA
47.89
LogP / Solubility
WLOGP
5.05
MLOGP
4.46
XLogP3
5.2
Consensus LogP
4.9
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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