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CAS 917099-03-7 cis-3-(Fmoc-amino)cyclohexanecarboxylic acid molecular structure lightbox
CAS RN: 917099-03-7

cis-3-(Fmoc-amino)cyclohexanecarboxylic acid

  • Product code: SSC-205112
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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 917099-03-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

917099-03-7 / cis-(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid

Standard CAS: 917099-03-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
917099-03-7
Multi CAS
Yes
Molecular Formula
C22H23NO4
Molecular Weight
365.400000
Exact Mass
365.162708
InChI
InChI=1S/C22H23NO4/c24-21(25)14-6-5-7-15(12-14)23-22(26)27-13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,14-15,20H,5-7,12-13H2,(H,23,26)(H,24,25)/t14-,15+/m1/s1
InChIKey
JSVAQZVOHKGTJY-CABCVRRESA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
101.59
TPSA
75.63

LogP / Solubility

WLOGP
4.17
MLOGP
3.69
XLogP3
3.9
Consensus LogP
3.92
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble

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)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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