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CAS 116821-47-7 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-aminobutyric Acid molecular structure lightbox
CAS RN: 116821-47-7

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-aminobutyric Acid

  • Product code: SSC-016721
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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
  • 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 116821-47-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
25g >97% 5 In Stock Beijing Inquiry
100g >97% 5 In Stock Shanghai Inquiry

116821-47-7 / 4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid | 4-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)BUTANOIC ACID | RefChem:508463

Standard CAS: 116821-47-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116821-47-7
Multi CAS
Yes
Molecular Formula
C19H19NO4
Molecular Weight
325.400000
Exact Mass
325.131408
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCC(=O)O
InChI
InChI=1S/C19H19NO4/c21-18(22)10-5-11-20-19(23)24-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12H2,(H,20,23)(H,21,22)
InChIKey
ACUIFAAXWDLLTR-UHFFFAOYSA-N
Synonyms
4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid 4-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)BUTANOIC ACID RefChem:508463 832-968-2 Fmoc-GABA-OH

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
89.94
TPSA
75.63

LogP / Solubility

WLOGP
3.39
MLOGP
3
XLogP3
2.9
Consensus LogP
3.1
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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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