[email protected]
CAS 124038-36-4 Methyl 3-(1,3-dioxolan-2-yl)benzoate molecular structure lightbox
CAS RN: 124038-36-4

Methyl 3-(1,3-dioxolan-2-yl)benzoate

Product Availability

Choose a grade to view its available package options.

3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260108 100mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250408 1g Out of stock Inquiry
Batchno.20260115 250mg Out of stock Inquiry
  • Product code: starshine_CAS124038-36-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

124038-36-4 / methyl 3-(1,3-dioxolan-2-yl)benzoate

Standard CAS: 124038-36-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124038-36-4
Multi CAS
No
Molecular Formula
C11H12O4
Molecular Weight
208.210000
Exact Mass
208.073559
SMILES
COC(=O)C1=CC=CC(=C1)C2OCCO2
InChI
InChI=1S/C11H12O4/c1-13-10(12)8-3-2-4-9(7-8)11-14-5-6-15-11/h2-4,7,11H,5-6H2,1H3
InChIKey
JMVJVYKRUJHQOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
52.43
TPSA
44.76

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.8
Consensus LogP
1.55
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-2.91

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us