CAS RN: 1213185-93-3
(S)-(5-bromo-2-fluorophenyl)(cyclopropyl)methanamine
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: SSC-023269
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1213185-93-3 / (S)-(5-bromo-2-fluorophenyl)-cyclopropylmethanamine
(5-bromo-2-fluorophenyl)(cyclopropyl)methanamine | MFCD18702116 | 1-(5-Bromo-2-fluorophenyl)-1-cyclopropylmethanamine
Basic Information
CAS
1213185-93-3
Multi CAS
Yes
Molecular Formula
C10H11BrFN
Molecular Weight
244.100000
Exact Mass
243.005890
SMILES
C1CC1[C@@H](C2=C(C=CC(=C2)Br)F)N
InChI
InChI=1S/C10H11BrFN/c11-7-3-4-9(12)8(5-7)10(13)6-1-2-6/h3-6,10H,1-2,13H2/t10-/m0/s1
InChIKey
LVFQLBOMQVKLIJ-JTQLQIEISA-N
Synonyms
(5-bromo-2-fluorophenyl)(cyclopropyl)methanamine
MFCD18702116
1-(5-Bromo-2-fluorophenyl)-1-cyclopropylmethanamine
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine
(R)-1-(5-Bromo-2-fluorophenyl)-1-cyclopropylmethanamine
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.75
TPSA
26.02
LogP / Solubility
WLOGP
3
MLOGP
2.64
XLogP3
2.4
Consensus LogP
2.68
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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