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 |
264128-48-5 / tert-butyl N-[(2S)-1-hydroxypropan-2-yl]-N-methylcarbamate
Basic Information
CAS
264128-48-5
Multi CAS
Yes
Molecular Formula
C9H19NO3
Molecular Weight
189.250000
Exact Mass
189.136493
InChI
InChI=1S/C9H19NO3/c1-7(6-11)10(5)8(12)13-9(2,3)4/h7,11H,6H2,1-5H3/t7-/m0/s1
InChIKey
WEPXAYUSJHQWOO-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.54
TPSA
49.77
LogP / Solubility
WLOGP
1.23
MLOGP
1.08
XLogP3
0.9
Consensus LogP
1.07
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately 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)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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