CAS RN: 74440-02-1
(Z)-2-(2-Aminothiazol-4-yl)-2-(tert-butoxycarbonylmethoxyimino)acetic 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.20260202 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS74440-02-1
- Purity/Analytical Methods: >99.0%
74440-02-1 / (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid
Basic Information
CAS
74440-02-1
Multi CAS
Yes
Molecular Formula
C11H15N3O5S
Molecular Weight
301.320000
Exact Mass
301.073242
InChI
InChI=1S/C11H15N3O5S/c1-11(2,3)19-7(15)4-18-14-8(9(16)17)6-5-20-10(12)13-6/h5H,4H2,1-3H3,(H2,12,13)(H,16,17)/b14-8-
InChIKey
XSQPXYAKVKORFJ-ZSOIEALJSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
2
Molar refractivity
72.5
TPSA
124.1
LogP / Solubility
WLOGP
0.87
MLOGP
0.78
XLogP3
1.8
Consensus LogP
1.15
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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