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CAS 433291-96-4 FMOC-2-FLUORO-DL-PHENYLGLYCINE molecular structure lightbox
CAS RN: 433291-96-4

FMOC-2-FLUORO-DL-PHENYLGLYCINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250302 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS433291-96-4
  • Purity/Analytical Methods: >99.0%
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433291-96-4 / 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-fluorophenyl)acetic acid

Standard CAS: 433291-96-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
433291-96-4
Multi CAS
No
Molecular Formula
C23FH18NO4
Molecular Weight
391.400000
Exact Mass
391.121986
InChI
InChI=1S/C23H18FNO4/c24-20-12-6-5-11-18(20)21(22(26)27)25-23(28)29-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-12,19,21H,13H2,(H,25,28)(H,26,27)
InChIKey
HFDAWMNMWMAJCX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
104.98
TPSA
75.63

LogP / Solubility

WLOGP
4.49
MLOGP
3.97
XLogP3
4.4
Consensus LogP
4.29
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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