CAS RN: 220594-10-5
2-PROPOXYANILINE HYDROCHLORIDE
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.20260113 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-106124
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: 5g, 1g, 25g, 0.1g, 0.25g, 10g
- Available purity: >97%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 5g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 2 In Stock | Beijing | Inquiry |
| 25g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 1 In Stock | Beijing | Inquiry |
| 10g | >97% | 0 Out of Stock | Beijing | Inquiry |
220594-10-5 / 2-propoxyaniline;hydrochloride
Basic Information
CAS
220594-10-5
Multi CAS
No
Molecular Formula
C9H14ClNO
Molecular Weight
187.660000
Exact Mass
187.076392
SMILES
CCCOC1=CC=CC=C1N.Cl
InChI
InChI=1S/C9H13NO.ClH/c1-2-7-11-9-6-4-3-5-8(9)10;/h3-6H,2,7,10H2,1H3;1H
InChIKey
JXKWRYBXSMQKBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.89
TPSA
35.25
LogP / Solubility
WLOGP
2.48
MLOGP
2.18
XLogP3
2.48
Consensus LogP
2.38
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly 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)
-2.1
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
1.5
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