CAS RN: 164165-77-9
1-(2,5-dichloro-3,6-dimethylphenyl)ethanone
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.20250319 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-071653
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
164165-77-9 / 1-(2,5-dichloro-3,6-dimethylphenyl)ethanone
Basic Information
CAS
164165-77-9
Multi CAS
No
Molecular Formula
C10H10Cl2O
Molecular Weight
217.090000
Exact Mass
216.010870
SMILES
CC1=CC(=C(C(=C1Cl)C(=O)C)C)Cl
InChI
InChI=1S/C10H10Cl2O/c1-5-4-8(11)6(2)9(7(3)13)10(5)12/h4H,1-3H3
InChIKey
XWFCYZDVVZNOKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
55.94
TPSA
17.07
LogP / Solubility
WLOGP
3.81
MLOGP
3.36
XLogP3
3.6
Consensus LogP
3.59
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly 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)
-1.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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