![CAS 1017479-81-0 [1-(2,4-dichlorophenyl)cyclobutyl]methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1017479-81-0.gif)
CAS RN: 1017479-81-0
[1-(2,4-dichlorophenyl)cyclobutyl]methanamine
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260115 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-002725
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1017479-81-0 / [1-(2,4-dichlorophenyl)cyclobutyl]methanamine
[1-(2,4-dichlorophenyl)cyclobutyl]methanamine | 1-(2,4-Dichlorophenyl)cyclobutanemethanamine | (1-(2,4-Dichlorophenyl)cyclobutyl)methanamine
Basic Information
CAS
1017479-81-0
Multi CAS
No
Molecular Formula
C11H13Cl2N
Molecular Weight
230.130000
Exact Mass
229.042505
SMILES
C1CC(C1)(CN)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H13Cl2N/c12-8-2-3-9(10(13)6-8)11(7-14)4-1-5-11/h2-3,6H,1,4-5,7,14H2
InChIKey
LBXMYRJMXLLTAH-UHFFFAOYSA-N
Synonyms
[1-(2,4-dichlorophenyl)cyclobutyl]methanamine
1-(2,4-Dichlorophenyl)cyclobutanemethanamine
(1-(2,4-Dichlorophenyl)cyclobutyl)methanamine
MFCD09904135
SQB47981
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.05
TPSA
26.02
LogP / Solubility
WLOGP
3.37
MLOGP
2.97
XLogP3
3.3
Consensus LogP
3.21
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
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)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
5-(3,4-difluorophenyl)isoxazole-3-carboxylic acid
- CAS RN: 1017513-51-7
- Product Code: SSC-002731
-
methyl 2-{3-azaspiro[5.5]undecan-9-yl}acetate hydrochloride
- CAS RN: 1017540-91-8
- Product Code: SSC-002732
-
2-(pyridin-3-yl)cyclopropanecarboxylic acid
- CAS RN: 1017553-74-0
- Product Code: SSC-002734
-
![CAS 1017540-91-8 methyl 2-{3-azaspiro[5.5]undecan-9-yl}acetate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1017540-91-8.gif)
