CAS RN: 1006376-62-0
(1R,2R)-2-(3,4-difluorophenyl)cyclopropane carboxaMide
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260604 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1006376-62-0
- Purity/Analytical Methods: >99.0%
1006376-62-0 / trans-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
2-(3,4-difluorophenyl)cyclopropanecarboxamide | 2-(3,4-difluorophenyl)cyclopropane-1-carboxamide | trans-2-(3,4-difluorophenyl)cyclopropanecarboxamide
Basic Information
CAS
1006376-62-0
Multi CAS
Yes
Molecular Formula
C10H9F2NO
Molecular Weight
197.180000
Exact Mass
197.065220
SMILES
C1[C@H]([C@@H]1C(=O)N)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C10H9F2NO/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H2,13,14)/t6-,7+/m0/s1
InChIKey
PYEJQVYISBUGDU-NKWVEPMBSA-N
Synonyms
2-(3,4-difluorophenyl)cyclopropanecarboxamide
2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
trans-2-(3,4-difluorophenyl)cyclopropanecarboxamide
2-?(3,?4-?Difluorophenyl)?cyclopropanecarboxamide
Rel-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.4
TPSA
43.09
LogP / Solubility
WLOGP
1.55
MLOGP
1.37
XLogP3
1.2
Consensus LogP
1.37
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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