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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Beijing | Inquiry |
7625-57-2 / methyl 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]acetate
Basic Information
CAS
7625-57-2
Multi CAS
Yes
Molecular Formula
C17H24N2O5
Molecular Weight
336.400000
Exact Mass
336.168522
InChI
InChI=1S/C17H24N2O5/c1-17(2,3)24-16(22)19-13(10-12-8-6-5-7-9-12)15(21)18-11-14(20)23-4/h5-9,13H,10-11H2,1-4H3,(H,18,21)(H,19,22)/t13-/m0/s1
InChIKey
KRYDBLGWCUNDCJ-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
88.33
TPSA
93.73
LogP / Solubility
WLOGP
1.41
MLOGP
1.26
XLogP3
1.9
Consensus LogP
1.52
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-3.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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L-ALLOSE
- CAS RN: 7635/11/2
- Product Code: starshine_CAS7635-11-2
- Purity/Analytical method: >99.0%
-
