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CAS 193885-59-5 (S)-N-FMOC-OCTYLGLYCINE molecular structure lightbox
CAS RN: 193885-59-5

(S)-N-FMOC-OCTYLGLYCINE

  • Product code: SSC-091568
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 193885-59-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 1 In Stock Shanghai Inquiry
10g >97% 1 In Stock Shanghai Inquiry
25g >97% 1 In Stock Hong Kong Inquiry
100g >97% 1 In Stock Shanghai Inquiry
500g >97% 0 Out of Stock Beijing Inquiry

193885-59-5 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)decanoic acid

Standard CAS: 193885-59-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
193885-59-5
Multi CAS
No
Molecular Formula
C25H31NO4
Molecular Weight
409.500000
Exact Mass
409.225308
SMILES
CCCCCCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C25H31NO4/c1-2-3-4-5-6-7-16-23(24(27)28)26-25(29)30-17-22-20-14-10-8-12-18(20)19-13-9-11-15-21(19)22/h8-15,22-23H,2-7,16-17H2,1H3,(H,26,29)(H,27,28)/t23-/m0/s1
InChIKey
LSMLSLHVRMSYPT-QHCPKHFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
11
H-bond acceptors
3
H-bond donors
2
Molar refractivity
117.62
TPSA
75.63

LogP / Solubility

WLOGP
5.73
MLOGP
5.07
XLogP3
6.6
Consensus LogP
5.8
Log S (ESOL)
-5.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.4
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)
-1.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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