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CAS 507472-23-3 FMOC-(S)-3-AMINO-3-(3-CYANO-PHENYL)-PROPIONIC ACID molecular structure lightbox
CAS RN: 507472-23-3

FMOC-(S)-3-AMINO-3-(3-CYANO-PHENYL)-PROPIONIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251002 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS507472-23-3
  • Purity/Analytical Methods: >99.0%
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507472-23-3 / (3R)-3-(3-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Standard CAS: 507472-23-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
507472-23-3
Multi CAS
Yes
Molecular Formula
C25H20N2O4
Molecular Weight
412.400000
Exact Mass
412.142307
InChI
InChI=1S/C25H20N2O4/c26-14-16-6-5-7-17(12-16)23(13-24(28)29)27-25(30)31-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,22-23H,13,15H2,(H,27,30)(H,28,29)/t23-/m0/s1
InChIKey
VTDRHDRSYRSZJX-QHCPKHFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.16
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
114.36
TPSA
99.42

LogP / Solubility

WLOGP
4.61
MLOGP
4.08
XLogP3
3.8
Consensus LogP
4.16
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.89
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.96

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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