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CAS 186320-06-9 (S)-N-Fmoc-3-Thienylalanine molecular structure lightbox
CAS RN: 186320-06-9

(S)-N-Fmoc-3-Thienylalanine

  • Product code: SSC-086395
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • 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 186320-06-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Shenzhen Inquiry
5g >97% 2 In Stock Shanghai Inquiry
10g >97% 2 In Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

186320-06-9 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-ylpropanoic acid

Standard CAS: 186320-06-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
186320-06-9
Multi CAS
No
Molecular Formula
C22H19NO4S
Molecular Weight
393.500000
Exact Mass
393.103479
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CSC=C4)C(=O)O
InChI
InChI=1S/C22H19NO4S/c24-21(25)20(11-14-9-10-28-13-14)23-22(26)27-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,13,19-20H,11-12H2,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKey
LSBZJMRHROCYGY-FQEVSTJZSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
107.65
TPSA
75.63

LogP / Solubility

WLOGP
4.28
MLOGP
3.79
XLogP3
4.3
Consensus LogP
4.12
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.49
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)
-2.08

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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