CAS RN: 2964-48-9
(1S,2S)-(+)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250525 | 1g / 5g / 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-132672
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: 500g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 500g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
2964-48-9 / (1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol
Basic Information
CAS
2964-48-9
Multi CAS
Yes
Molecular Formula
C9H12N2O4
Molecular Weight
212.200000
Exact Mass
212.079707
InChI
InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/m1/s1
InChIKey
OCYJXSUPZMNXEN-RKDXNWHRSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
53.12
TPSA
109.62
LogP / Solubility
WLOGP
-0.05
MLOGP
-0.04
XLogP3
-0.7
Consensus LogP
-0.26
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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