![CAS 64451-76-9 2-[4-(1-METHYLPROPYL)PHENYL]PROPANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6732396.gif)
CAS RN: 64451-76-9
2-[4-(1-METHYLPROPYL)PHENYL]PROPANOIC ACID
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.20260309 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS64451-76-9
- Purity/Analytical Methods: >99.0%
64451-76-9 / 2-(4-butan-2-ylphenyl)propanoic acid
Basic Information
CAS
64451-76-9
Multi CAS
No
Molecular Formula
C13H18O2
Molecular Weight
206.280000
Exact Mass
206.130680
InChI
InChI=1S/C13H18O2/c1-4-9(2)11-5-7-12(8-6-11)10(3)13(14)15/h5-10H,4H2,1-3H3,(H,14,15)
InChIKey
OWMZINYEXURWLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.2
TPSA
37.3
LogP / Solubility
WLOGP
3.39
MLOGP
2.98
XLogP3
3.6
Consensus LogP
3.32
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.29
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
Chromium nicotinate
- CAS RN: 64452-96-6
- Product Code: starshine_CAS64452-96-6
- Purity/Analytical method: >99.0%
-
-
-
[(1aS)-1a,1bα,2,5aα,6,6aβ-Hexahydro-6α-[(E)-3-(4-hydroxy-3-methoxyphenyl)propenoyloxy]-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]β-D-glucopyranoside
- CAS RN: 64461-95-6
- Product Code: starshine_CAS64461-95-6
- Purity/Analytical method: >99.0%
-
-
LPHE-009
- CAS RN: 64471-45-0
- Product Code: starshine_CAS64471-45-0
- Purity/Analytical method: >99.0%
![CAS 64461-95-6 [(1aS)-1a,1bα,2,5aα,6,6aβ-Hexahydro-6α-[(E)-3-(4-hydroxy-3-methoxyphenyl)propenoyloxy]-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]β-D-glucopyranoside molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/64461-95-6.gif)
