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CAS 108321-39-7 Nα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-asparagine molecular structure lightbox
CAS RN: 108321-39-7

Nα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-asparagine

  • Product code: SSC-009694
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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: 100g
  • 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 108321-39-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

108321-39-7 / (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid

Fmoc-DL-asparagine | 3-Carbamoyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid | N2-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-asparagine

Standard CAS: 108321-39-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108321-39-7
Multi CAS
Yes
Molecular Formula
C19H18N2O5
Molecular Weight
354.400000
Exact Mass
354.121572
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC(=O)N)C(=O)O
InChI
InChI=1S/C19H18N2O5/c20-17(22)9-16(18(23)24)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,20,22)(H,21,25)(H,23,24)/t16-/m1/s1
InChIKey
YUGBZNJSGOBFOV-MRXNPFEDSA-N
Synonyms
Fmoc-DL-asparagine 3-Carbamoyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid N2-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-asparagine N-Fmoc-L-Asparagine NSC334297

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
93.44
TPSA
118.72

LogP / Solubility

WLOGP
1.85
MLOGP
1.65
XLogP3
1.5
Consensus LogP
1.67
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57

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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