CAS RN: 13443-29-3
2,3-epoxypropyl benzoate
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.20250128 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS13443-29-3
- Purity/Analytical Methods: >99.0%
13443-29-3 / oxiran-2-ylmethyl benzoate
Basic Information
CAS
13443-29-3
Multi CAS
No
Molecular Formula
C10H10O3
Molecular Weight
178.180000
Exact Mass
178.062994
SMILES
C1C(O1)COC(=O)C2=CC=CC=C2
InChI
InChI=1S/C10H10O3/c11-10(13-7-9-6-12-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
XRQKARZTFMEBBY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
46.46
TPSA
38.83
LogP / Solubility
WLOGP
1.24
MLOGP
1.09
XLogP3
2
Consensus LogP
1.44
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
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)
-2.92
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
2
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- CAS RN: 13446-24-7
- Product Code: starshine_CAS13446-24-7
- Purity/Analytical method: >99.0%
