CAS RN: 1255792-05-2
alpha-Methyl-5-methoxy-2-nitro-4-(2-propyn-1-yloxy)benzyl Alcohol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260214 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-030339
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g, 5g
- Available purity: >95%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 3 In Stock | Beijing | Inquiry |
| 1g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 0.1g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 2 In Stock | Shanghai | Inquiry |
| 5g | -- | 2 In Stock | Beijing | Inquiry |
| 5g | >95% | 2 In Stock | Shanghai | Inquiry |
1255792-05-2 / 1-(5-methoxy-2-nitro-4-prop-2-ynoxyphenyl)ethanol
Basic Information
CAS
1255792-05-2
Multi CAS
No
Molecular Formula
C12H13NO5
Molecular Weight
251.230000
Exact Mass
251.079373
SMILES
CC(C1=CC(=C(C=C1[N+](=O)[O-])OCC#C)OC)O
InChI
InChI=1S/C12H13NO5/c1-4-5-18-12-7-10(13(15)16)9(8(2)14)6-11(12)17-3/h1,6-8,14H,5H2,2-3H3
InChIKey
DACNMURXMLMAPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.61
TPSA
81.83
LogP / Solubility
WLOGP
1.67
MLOGP
1.47
XLogP3
1.3
Consensus LogP
1.48
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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![CAS 1255912-98-1 (Z)-2-[[[(2-Amino-4-thiazolyl)[[(2S,3S)-2-methyl-4-oxo-1-sulfo-3-azetidinyl] carbamoyl]methylene]amino]oxy]-2-methylpropionic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1255912-98-1.gif)