CAS RN: 7622-23-3
Benzenepropanoic acid,a-hydroxy-, 1,1-dimethylethyl ester,(S)-
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.20250409 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS7622-23-3
- Purity/Analytical Methods: >99.0%
7622-23-3 / tert-butyl 2-hydroxy-3-phenylpropanoate
Basic Information
CAS
7622-23-3
Multi CAS
Yes
Molecular Formula
C13H18O3
Molecular Weight
222.280000
Exact Mass
222.125594
InChI
InChI=1S/C13H18O3/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3/t11-/m0/s1
InChIKey
GMYNKCIZSNJVEE-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62
TPSA
46.53
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
2.4
Consensus LogP
2.01
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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L-ALLOSE
- CAS RN: 7635/11/2
- Product Code: starshine_CAS7635-11-2
- Purity/Analytical method: >99.0%
