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CAS 332062-10-9 FMOC-(R)-3-AMINO-4,4-DIPHENYL-BUTYRIC ACID molecular structure lightbox
CAS RN: 332062-10-9

FMOC-(R)-3-AMINO-4,4-DIPHENYL-BUTYRIC ACID

  • Product code: SSC-139166
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 332062-10-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

332062-10-9 / (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoic acid

Standard CAS: 332062-10-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
332062-10-9
Multi CAS
Yes
Molecular Formula
C31H27NO4
Molecular Weight
477.500000
Exact Mass
477.194008
InChI
InChI=1S/C31H27NO4/c33-29(34)19-28(30(21-11-3-1-4-12-21)22-13-5-2-6-14-22)32-31(35)36-20-27-25-17-9-7-15-23(25)24-16-8-10-18-26(24)27/h1-18,27-28,30H,19-20H2,(H,32,35)(H,33,34)/t28-/m1/s1
InChIKey
GQRZIYGFRVKFSB-MUUNZHRXSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
24
Fraction Csp3
0.16
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
138.97
TPSA
75.63

LogP / Solubility

WLOGP
6.2
MLOGP
5.49
XLogP3
6
Consensus LogP
5.9
Log S (ESOL)
-6.67
Class (ESOL)
Insoluble
Log S (Ali)
-7.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.87
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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