CAS RN: 60729-80-8
(S)-2-(ethoxycarbonylamino)-2-phenylacetic acid
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.20250706 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS60729-80-8
- Purity/Analytical Methods: >99.0%
60729-80-8 / (2S)-2-(ethoxycarbonylamino)-2-phenylacetic acid
Basic Information
CAS
60729-80-8
Multi CAS
Yes
Molecular Formula
C11H13NO4
Molecular Weight
223.220000
Exact Mass
223.084458
InChI
InChI=1S/C11H13NO4/c1-2-16-11(15)12-9(10(13)14)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)(H,13,14)/t9-/m0/s1
InChIKey
RBYBUHMCHHFGHS-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.98
TPSA
75.63
LogP / Solubility
WLOGP
1.56
MLOGP
1.37
XLogP3
1.6
Consensus LogP
1.51
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.98
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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