CAS RN: 142148-11-6
1,1-Cyclopropanedimethanol 1-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.20250103 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS142148-11-6
- Purity/Analytical Methods: >99.0%
142148-11-6 / [1-(hydroxymethyl)cyclopropyl]methyl benzoate
Basic Information
CAS
142148-11-6
Multi CAS
No
Molecular Formula
C12H14O3
Molecular Weight
206.240000
Exact Mass
206.094294
SMILES
C1CC1(CO)COC(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H14O3/c13-8-12(6-7-12)9-15-11(14)10-4-2-1-3-5-10/h1-5,13H,6-9H2
InChIKey
AVOOZGMVIQZJQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.48
TPSA
46.53
LogP / Solubility
WLOGP
1.62
MLOGP
1.42
XLogP3
2.2
Consensus LogP
1.75
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.83
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
-
(1-HYDROXYMETHYL-CYCLOPROPYL)-ACETIC ACID METHYL ESTER
- CAS RN: 142148-13-8
- Product Code: SSC-052886
-
methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
- CAS RN: 142166-00-5
- Product Code: SSC-052923
-
3,4-Dihydro-2H-benzo[1,4]oxazine-7-carboxylic acid methyl ester
- CAS RN: 142166-01-6
- Product Code: SSC-052924
-
-
2-(4-BROMOBUTYL)-1 3 2-BENZODIOXABOROLE&
- CAS RN: 142172-51-8
- Product Code: starshine_CAS142172-51-8
- Purity/Analytical method: >99.0%
-
![CAS 142166-01-6 3,4-Dihydro-2H-benzo[1,4]oxazine-7-carboxylic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/142166-01-6.gif)
