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: 5g
- 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 |
|---|---|---|---|---|
| 5g | >98% | 0 Out of Stock | Beijing | Inquiry |
51871-42-2 / (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid
Basic Information
CAS
51871-42-2
Multi CAS
Yes
Molecular Formula
C13H24N2O5
Molecular Weight
288.340000
Exact Mass
288.168522
InChI
InChI=1S/C13H24N2O5/c1-8(2)6-9(11(17)18)15-10(16)7-14-12(19)20-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,19)(H,15,16)(H,17,18)/t9-/m0/s1
InChIKey
RGNNFKYULPHSJI-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.77
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
73.26
TPSA
104.73
LogP / Solubility
WLOGP
1.13
MLOGP
1
XLogP3
1.3
Consensus LogP
1.14
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
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)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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3-HYDROXYHEXADECANOIC ACID METHYL ESTER
- CAS RN: 51883-36-4
- Product Code: starshine_CAS51883-36-4
- Purity/Analytical method: >99.0%
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