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CAS 683217-64-3 2-cyclohexyl-3-(9H-fluoren-13-ylmethoxycarbonylamino)propanoic acid(WXC09080) molecular structure lightbox
CAS RN: 683217-64-3

2-cyclohexyl-3-(9H-fluoren-13-ylmethoxycarbonylamino)propanoic acid(WXC09080)

  • Product code: SSC-178052
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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 683217-64-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

683217-64-3 / 2-(4-chlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Standard CAS: 683217-64-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
683217-64-3
Multi CAS
No
Molecular Formula
C24H20CLNO4
Molecular Weight
421.900000
Exact Mass
421.108086
InChI
InChI=1S/C24H20ClNO4/c25-16-11-9-15(10-12-16)21(23(27)28)13-26-24(29)30-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)
InChIKey
VPGXZWIGRRRZMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
114.9
TPSA
75.63

LogP / Solubility

WLOGP
5.05
MLOGP
4.47
XLogP3
4.9
Consensus LogP
4.81
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.31
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)
-1.71

Drug-likeness / Medicinal Chemistry

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

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