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CAS 277745-43-4 Methyl 3-amino-3-(3-fluorophenyl)propanoate HCl molecular structure lightbox
CAS RN: 277745-43-4

Methyl 3-amino-3-(3-fluorophenyl)propanoate HCl

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260620 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS277745-43-4
  • Purity/Analytical Methods: >99.0%
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277745-43-4 / methyl 3-amino-3-(3-fluorophenyl)propanoate

Standard CAS: 277745-43-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
277745-43-4
Multi CAS
Yes
Molecular Formula
C10FH12NO2
Molecular Weight
197.210000
Exact Mass
197.085207
InChI
InChI=1S/C10H12FNO2/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-5,9H,6,12H2,1H3
InChIKey
NZGXGJORNZGEJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.96
TPSA
52.32

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
0.7
Consensus LogP
1.1
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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