CAS RN: 337518-87-3
(S)-2-BENZYL-4-(TERT-BUTOXY)-4-OXOBUTANOIC 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.20251021 | 200mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-139897
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 | Beijing | Inquiry |
337518-87-3 / (2S)-2-benzyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Basic Information
CAS
337518-87-3
Multi CAS
Yes
Molecular Formula
C15H20O4
Molecular Weight
264.320000
Exact Mass
264.136159
InChI
InChI=1S/C15H20O4/c1-15(2,3)19-13(16)10-12(14(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKey
TWMRLCPQQCHIBH-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.73
TPSA
63.6
LogP / Solubility
WLOGP
2.66
MLOGP
2.35
XLogP3
2.5
Consensus LogP
2.5
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly 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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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