Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
148438-03-3 / methyl 4-cyclopropylbenzoate
Basic Information
CAS
148438-03-3
Multi CAS
No
Molecular Formula
C11H12O2
Molecular Weight
176.210000
Exact Mass
176.083730
SMILES
COC(=O)C1=CC=C(C=C1)C2CC2
InChI
InChI=1S/C11H12O2/c1-13-11(12)10-6-4-9(5-7-10)8-2-3-8/h4-8H,2-3H2,1H3
InChIKey
AZIWZLOGNAEWLR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
49.76
TPSA
26.3
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
3.2
Consensus LogP
2.54
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
AC-TRP-3,5-BIS(TRIFLUOROMETHYL)BENZYL ESTER
- CAS RN: 148451-96-1
- Product Code: starshine_CAS148451-96-1
- Purity/Analytical method: >99.0%
-
-
-
(4S)-2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-(phenylMethyl)-Oxazole
- CAS RN: 148461-13-6
- Product Code: SSC-058765
-
(4S)-(-)-4,5-DIHYDRO-2-[2′-(DIPHENYLPHOSPHINO)PHENYL]-4-ISOPROPYLOXAZOLE
- CAS RN: 148461-14-7
- Product Code: SSC-058766
-
S(+)-2-[2-(DIPHENYLPHOSPHINO)PHENYL]-4-PHENYL-2-OXAZOLINE
- CAS RN: 148461-15-8
- Product Code: SSC-058767
![CAS 148461-13-6 (4S)-2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-(phenylMethyl)-Oxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/148461-13-6.gif)
![CAS 148461-14-7 (4S)-(-)-4,5-DIHYDRO-2-[2′-(DIPHENYLPHOSPHINO)PHENYL]-4-ISOPROPYLOXAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/148461-14-7.gif)
![CAS 148461-15-8 S(+)-2-[2-(DIPHENYLPHOSPHINO)PHENYL]-4-PHENYL-2-OXAZOLINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/148461-15-8.gif)