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CAS 152436-04-9 (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methyl-3-phenylpropanoic acid molecular structure lightbox
CAS RN: 152436-04-9

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methyl-3-phenylpropanoic acid

  • Product code: SSC-062277
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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: >95%
  • 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 152436-04-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

152436-04-9 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-3-phenylpropanoic acid

Standard CAS: 152436-04-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152436-04-9
Multi CAS
No
Molecular Formula
C25H23NO4
Molecular Weight
401.500000
Exact Mass
401.162708
SMILES
C[C@@](CC1=CC=CC=C1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H23NO4/c1-25(23(27)28,15-17-9-3-2-4-10-17)26-24(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,22H,15-16H2,1H3,(H,26,29)(H,27,28)/t25-/m1/s1
InChIKey
KLBKBAAOPOXFSK-RUZDIDTESA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
114.39
TPSA
75.63

LogP / Solubility

WLOGP
4.61
MLOGP
4.08
XLogP3
4.8
Consensus LogP
4.5
Log S (ESOL)
-5.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.82
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)
-1.9

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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