![CAS 1002557-11-0 [1,1′-Biphenyl]-2-methanamine, 5-fluoro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1002557-11-0.gif)
CAS RN: 1002557-11-0
[1,1′-Biphenyl]-2-methanamine, 5-fluoro-
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.20250418 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1002557-11-0
- Purity/Analytical Methods: >99.0%
1002557-11-0 / (4-fluoro-2-phenylphenyl)methanamine
(5-Fluorobiphenyl-2-yl)methanamine | (4-fluoro-2-phenylphenyl)methanamine | SCHEMBL27869165
Basic Information
CAS
1002557-11-0
Multi CAS
No
Molecular Formula
C13H12FN
Molecular Weight
201.240000
Exact Mass
201.095378
SMILES
C1=CC=C(C=C1)C2=C(C=CC(=C2)F)CN
InChI
InChI=1S/C13H12FN/c14-12-7-6-11(9-15)13(8-12)10-4-2-1-3-5-10/h1-8H,9,15H2
InChIKey
YRGMOGJZQSBAOL-UHFFFAOYSA-N
Synonyms
(5-Fluorobiphenyl-2-yl)methanamine
(4-fluoro-2-phenylphenyl)methanamine
SCHEMBL27869165
DTXSID301287284
MFCD14701931
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.73
TPSA
26.02
LogP / Solubility
WLOGP
2.95
MLOGP
2.6
XLogP3
2.5
Consensus LogP
2.68
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85
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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