[email protected]
CAS 24331-07-5 4-(2-METHYLPHENOXY)BUTANOIC ACID molecular structure lightbox
CAS RN: 24331-07-5

4-(2-METHYLPHENOXY)BUTANOIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251211 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS24331-07-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

24331-07-5 / 4-(2-methylphenoxy)butanoic acid

Standard CAS: 24331-07-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24331-07-5
Multi CAS
No
Molecular Formula
C11H14O3
Molecular Weight
194.230000
Exact Mass
194.094294
SMILES
CC1=CC=CC=C1OCCCC(=O)O
InChI
InChI=1S/C11H14O3/c1-9-5-2-3-6-10(9)14-8-4-7-11(12)13/h2-3,5-6H,4,7-8H2,1H3,(H,12,13)
InChIKey
VIRHHSGEXXURMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.54
TPSA
46.53

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
2.6
Consensus LogP
2.27
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.38
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)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us