CAS RN: 23563-26-0
4-BUTOXYACETANILIDE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS23563-26-0
- Purity/Analytical Methods: >99.0%
23563-26-0 / N-(4-butoxyphenyl)acetamide
Basic Information
CAS
23563-26-0
Multi CAS
No
Molecular Formula
C12H17NO2
Molecular Weight
207.270000
Exact Mass
207.125929
SMILES
CCCCOC1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C12H17NO2/c1-3-4-9-15-12-7-5-11(6-8-12)13-10(2)14/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKey
JYMFGHFNWSMPBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.15
TPSA
38.33
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.5
Consensus LogP
2.6
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
2-Acetyl-3-methyl-8-(β-D-glucopyranosyloxy)-1,6-naphthalenediol
- CAS RN: 23566-96-3
- Product Code: starshine_CAS23566-96-3
- Purity/Analytical method: >99.0%
-
8-BROMOADENOSINE 5′-MONOPHOSPHATE
- CAS RN: 23567-96-6
- Product Code: starshine_CAS23567-96-6
- Purity/Analytical method: >99.0%
-
TRIS-(1,10-PHENANTHROLINE) RUTHENIUM (II) CHLORIDE
- CAS RN: 23570-43-6
- Product Code: SSC-114635
-
1,3,4-Oxadiazole-2-carboxylic acid, ethyl ester
- CAS RN: 23571-75-7
- Product Code: SSC-114638
-
Benzenemethanol, 5-fluoro-2-hydroxy-
- CAS RN: 2357-33-7
- Product Code: starshine_CAS2357-33-7
- Purity/Analytical method: >99.0%
