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CAS 183071-07-0 FMOC-3-(1-PYRENYL)-L-ALANINE molecular structure lightbox
CAS RN: 183071-07-0

FMOC-3-(1-PYRENYL)-L-ALANINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250712 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-084704
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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 183071-07-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

183071-07-0 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyren-1-ylpropanoic acid

Standard CAS: 183071-07-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
183071-07-0
Multi CAS
No
Molecular Formula
C34H25NO4
Molecular Weight
511.600000
Exact Mass
511.178358
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)C(=O)O
InChI
InChI=1S/C34H25NO4/c36-33(37)30(18-23-15-14-22-13-12-20-6-5-7-21-16-17-24(23)32(22)31(20)21)35-34(38)39-19-29-27-10-3-1-8-25(27)26-9-2-4-11-28(26)29/h1-17,29-30H,18-19H2,(H,35,38)(H,36,37)/t30-/m0/s1
InChIKey
LXZMJSJQWMANBG-PMERELPUSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
28
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
153.48
TPSA
75.63

LogP / Solubility

WLOGP
7.12
MLOGP
6.3
XLogP3
7.8
Consensus LogP
7.07
Log S (ESOL)
-7.63
Class (ESOL)
Insoluble
Log S (Ali)
-8.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.79

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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