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 | Shenzhen | Inquiry |
71064-34-1 / 2-chloro-N-(2,3-dihydroxypropyl)acetamide
Basic Information
CAS
71064-34-1
Multi CAS
No
Molecular Formula
C5H10CLNO3
Molecular Weight
167.590000
Exact Mass
167.034921
InChI
InChI=1S/C5H10ClNO3/c6-1-5(10)7-2-4(9)3-8/h4,8-9H,1-3H2,(H,7,10)
InChIKey
AYFSYGFEOPUIFD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
36.82
TPSA
69.56
LogP / Solubility
WLOGP
-1.31
MLOGP
-1.15
XLogP3
-1.1
Consensus LogP
-1.19
Log S (ESOL)
0.21
Class (ESOL)
Highly soluble
Log S (Ali)
0.01
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.15
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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