CAS RN: 1263078-21-2
(R)-2-(4-BUTYLPHENYL)-PROPIONIC 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.20260429 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1263078-21-2
- Purity/Analytical Methods: >99.0%
1263078-21-2 / (2R)-2-(4-butylphenyl)propanoic acid
Basic Information
CAS
1263078-21-2
Multi CAS
No
Molecular Formula
C13H18O2
Molecular Weight
206.280000
Exact Mass
206.130680
SMILES
CCCCC1=CC=C(C=C1)[C@@H](C)C(=O)O
InChI
InChI=1S/C13H18O2/c1-3-4-5-11-6-8-12(9-7-11)10(2)13(14)15/h6-10H,3-5H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKey
FEFPDZIYEWFQFK-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.1
TPSA
37.3
LogP / Solubility
WLOGP
3.22
MLOGP
2.83
XLogP3
3.8
Consensus LogP
3.28
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
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)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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