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 | Beijing | Inquiry |
1017391-62-6 / 1-(2-fluorophenyl)cyclobutan-1-amine
1-(2-FLUOROPHENYL)CYCLOBUTANAMINE | 1-(2-FLUOROPHENYL)CYCLOBUTAN-1-AMINE | MFCD09904474
Basic Information
CAS
1017391-62-6
Multi CAS
Yes
Molecular Formula
C10H12FN
Molecular Weight
165.210000
Exact Mass
165.095378
SMILES
C1CC(C1)(C2=CC=CC=C2F)N
InChI
InChI=1S/C10H12FN/c11-9-5-2-1-4-8(9)10(12)6-3-7-10/h1-2,4-5H,3,6-7,12H2
InChIKey
AXNNZTURGGNMJF-UHFFFAOYSA-N
Synonyms
1-(2-FLUOROPHENYL)CYCLOBUTANAMINE
1-(2-FLUOROPHENYL)CYCLOBUTAN-1-AMINE
MFCD09904474
CHEMBL4515669
SCHEMBL11972017
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.12
TPSA
26.02
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
1.6
Consensus LogP
1.89
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately 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)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1017400-92-8 1-[1-(cyclopropylmethyl)-4-piperidinyl]methanamine(SALTDATA: FREE) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-[1-(cyclopropylmethyl)-4-piperidinyl]methanamine(SALTDATA: FREE)
- CAS RN: 1017400-92-8
- Product Code: SSC-002701
-
-
-
-
-
5-(4-Chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid
- CAS RN: 1017414-83-3
- Product Code: SSC-002709
![CAS 1017400-92-8 1-[1-(cyclopropylmethyl)-4-piperidinyl]methanamine(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1017400-92-8.gif)
