CAS RN: 2051-18-5
4-Isopropylbenzyl Chloride (contains ca. 10% o-form)
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260103 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250701 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250421 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-096491
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: 0.25g
- Available purity: >97%
- Inventory rows with stock: 1
- 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 |
|---|---|---|---|---|
| 0.25g | >97% | 1 In Stock | Shenzhen | Inquiry |
2051-18-5 / 1-(chloromethyl)-4-propan-2-ylbenzene
Basic Information
CAS
2051-18-5
Multi CAS
No
Molecular Formula
C10H13Cl
Molecular Weight
168.660000
Exact Mass
168.070578
SMILES
CC(C)C1=CC=C(C=C1)CCl
InChI
InChI=1S/C10H13Cl/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3
InChIKey
CYAKWEQUWJAHLW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
Molar refractivity
50.09
TPSA
0.0000
LogP / Solubility
WLOGP
3.55
MLOGP
3.12
XLogP3
4.1
Consensus LogP
3.59
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-1.23
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
