CAS RN: 328086-57-3
(4R)-N-(tert-Butyloxycarbonyl)-4-(cyanoMethyl)-L-glutaMic Acid 1,5-DiMethyl Ester
- Product code: SSC-138533
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 | Shanghai | Inquiry |
328086-57-3 / (2,5-dioxopyrrolidin-1-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Basic Information
CAS
328086-57-3
Multi CAS
Yes
Molecular Formula
C14H22N2O6
Molecular Weight
314.330000
Exact Mass
314.147786
InChI
InChI=1S/C14H22N2O6/c1-14(2,3)22-13(19)16-10(12(18)21-5)8-9(6-7-15)11(17)20-4/h9-10H,6,8H2,1-5H3,(H,16,19)/t9-,10-/m0/s1
InChIKey
QVTOOWHELURIDU-UWVGGRQHSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
75.17
TPSA
102.01
LogP / Solubility
WLOGP
1.14
MLOGP
1.02
XLogP3
1.3
Consensus LogP
1.15
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.83
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
3
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