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CAS 1014018-41-7 (S)-FMOC-4-AMINO-PENTANOIC ACID molecular structure lightbox
CAS RN: 1014018-41-7

(S)-FMOC-4-AMINO-PENTANOIC ACID

  • Product code: SSC-002247
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1014018-41-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1014018-41-7 / (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid

(4S)-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanoic acid | (4S)-4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid | RefChem:403385

Standard CAS: 1014018-41-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1014018-41-7
Multi CAS
Yes
Molecular Formula
C20H21NO4
Molecular Weight
339.400000
Exact Mass
339.147058
SMILES
C[C@@H](CCC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H21NO4/c1-13(10-11-19(22)23)21-20(24)25-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18H,10-12H2,1H3,(H,21,24)(H,22,23)/t13-/m0/s1
InChIKey
ASUWOMDZJCFFDR-ZDUSSCGKSA-N
Synonyms
(4S)-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanoic acid (4S)-4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid RefChem:403385 103-622-1 (S)-Fmoc-4-amino-pentanoic acid

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
94.54
TPSA
75.63

LogP / Solubility

WLOGP
3.78
MLOGP
3.34
XLogP3
3.3
Consensus LogP
3.47
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-2.11

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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