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CAS 180675-08-5 Fmoc-Asp(OMpe)-OH molecular structure lightbox
CAS RN: 180675-08-5

Fmoc-Asp(OMpe)-OH

  • Product code: SSC-081730
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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: 100g, 5g, 0.25g, 1g, 10g, 0.1g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 7
  • 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 180675-08-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >97% 5 In Stock Beijing Inquiry
5g >97% 3 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Beijing Inquiry
10g >97% 2 In Stock Hong Kong Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
25g >97% 1 In Stock Shanghai Inquiry

180675-08-5 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-methylpentan-3-yloxy)-4-oxobutanoic acid

Standard CAS: 180675-08-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
180675-08-5
Multi CAS
No
Molecular Formula
C25H29NO6
Molecular Weight
439.500000
Exact Mass
439.199488
SMILES
CCC(C)(CC)OC(=O)C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C25H29NO6/c1-4-25(3,5-2)32-22(27)14-21(23(28)29)26-24(30)31-15-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,20-21H,4-5,14-15H2,1-3H3,(H,26,30)(H,28,29)/t21-/m0/s1
InChIKey
SYGKUYKLHYQKPL-NRFANRHFSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
119.32
TPSA
101.93

LogP / Solubility

WLOGP
4.49
MLOGP
3.98
XLogP3
4.6
Consensus LogP
4.36
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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