CAS RN: 1823900-94-2
6-(Allyloxy)-2,3-dichlorobenzyl 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.20260511 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-083975
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, 0.25g, 0.1g
- Available purity: >95%
- Inventory rows with stock: 2
- 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.
1823900-94-2 / (2,3-dichloro-6-prop-2-enoxyphenyl)methanol
Basic Information
CAS
1823900-94-2
Multi CAS
No
Molecular Formula
C10H10Cl2O2
Molecular Weight
233.090000
Exact Mass
232.005785
SMILES
C=CCOC1=C(C(=C(C=C1)Cl)Cl)CO
InChI
InChI=1S/C10H10Cl2O2/c1-2-5-14-9-4-3-8(11)10(12)7(9)6-13/h2-4,13H,1,5-6H2
InChIKey
SMZIWMYPDHZMRQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.08
TPSA
29.46
LogP / Solubility
WLOGP
3.05
MLOGP
2.69
XLogP3
2.9
Consensus LogP
2.88
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly 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)
-1.98
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
1.5
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