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CAS 123639-61-2 Fmoc-L-glutamic acid-gamma-benzyl ester molecular structure lightbox
CAS RN: 123639-61-2

Fmoc-L-glutamic acid-gamma-benzyl ester

  • Product code: SSC-027393
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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: 10g, 25g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 8
  • 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 123639-61-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g -- 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g -- 5 In Stock Hong Kong Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
100g -- 5 In Stock Shanghai Inquiry
100g >97% 5 In Stock Shanghai Inquiry
500g -- 2 In Stock Shanghai Inquiry
500g >97% 2 In Stock Beijing Inquiry

123639-61-2 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-phenylmethoxypentanoic acid

Standard CAS: 123639-61-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
123639-61-2
Multi CAS
No
Molecular Formula
C27H25NO6
Molecular Weight
459.500000
Exact Mass
459.168188
SMILES
C1=CC=C(C=C1)COC(=O)CC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H25NO6/c29-25(33-16-18-8-2-1-3-9-18)15-14-24(26(30)31)28-27(32)34-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2,(H,28,32)(H,30,31)/t24-/m0/s1
InChIKey
HJJURMMMGPQIQP-DEOSSOPVSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
125.1
TPSA
101.93

LogP / Solubility

WLOGP
4.5
MLOGP
3.99
XLogP3
4.4
Consensus LogP
4.3
Log S (ESOL)
-5.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.46
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)
-2.33

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): 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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