CAS RN: 24186-38-7
p-Methyl-cinnaMoyl Azide
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.20260614 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS24186-38-7
- Purity/Analytical Methods: >99.0%
24186-38-7 / (E)-3-(4-methylphenyl)prop-2-enoyl azide
Basic Information
CAS
24186-38-7
Multi CAS
No
Molecular Formula
C10H9N3O
Molecular Weight
187.200000
Exact Mass
187.074562
SMILES
CC1=CC=C(C=C1)/C=C/C(=O)N=[N+]=[N-]
InChI
InChI=1S/C10H9N3O/c1-8-2-4-9(5-3-8)6-7-10(14)12-13-11/h2-7H,1H3/b7-6+
InChIKey
IFVSVRKWJLKNIT-VOTSOKGWSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
54.37
TPSA
65.83
LogP / Solubility
WLOGP
2.85
MLOGP
2.5
XLogP3
3.5
Consensus LogP
2.95
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly 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)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
