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CAS 1146118-59-3 (2S)-5-(dimethylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid molecular structure lightbox
CAS RN: 1146118-59-3

(2S)-5-(dimethylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260320 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-014316
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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: 9
  • 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 1146118-59-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g -- 1 In Stock Hong Kong Inquiry
5g -- 1 In Stock Hong Kong Inquiry
10g -- 1 In Stock Shenzhen Inquiry
10g >97% 1 In Stock Hong Kong Inquiry
25g >97% 1 In Stock Shanghai Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
25g -- 0 Out of Stock Shanghai Inquiry

1146118-59-3 / (2S)-5-(dimethylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid

(2S)-4-(dimethylcarbamoyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid | (2S)-4-(dimethylcarbamoyl)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid | RefChem:398621

Standard CAS: 1146118-59-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1146118-59-3
Multi CAS
Yes
Molecular Formula
C22H24N2O5
Molecular Weight
396.400000
Exact Mass
396.168522
SMILES
CN(C)C(=O)CC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H24N2O5/c1-24(2)20(25)12-11-19(21(26)27)23-22(28)29-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-19H,11-13H2,1-2H3,(H,23,28)(H,26,27)/t19-/m0/s1
InChIKey
RSMCAOKIIZQPSD-IBGZPJMESA-N
Synonyms
(2S)-4-(dimethylcarbamoyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid (2S)-4-(dimethylcarbamoyl)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid RefChem:398621 960-457-5 N2-Fmoc-N5,N5-dimethyl-L-glutamine

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
107.56
TPSA
95.94

LogP / Solubility

WLOGP
2.85
MLOGP
2.53
XLogP3
2.5
Consensus LogP
2.63
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble

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)
-3.12

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 (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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