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CAS 114932-60-4 1-Pyrenebutanoic Acid Succinimidyl Ester molecular structure lightbox
CAS RN: 114932-60-4

1-Pyrenebutanoic Acid Succinimidyl Ester

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250319 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20251208 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250525 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260509 25g In stock Shanghai Inquiry
Batchno.20260623 5g In stock Shanghai Inquiry
  • Product code: SSC-014623
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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: ＞97%
  • 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 114932-60-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

114932-60-4 / (2,5-dioxopyrrolidin-1-yl) 4-pyren-1-ylbutanoate

1-Succinimidyl-3'-pyrenebutyrate | DTXSID90150902 | RefChem:77237

Standard CAS: 114932-60-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
114932-60-4
Multi CAS
Yes
Molecular Formula
C24H19NO4
Molecular Weight
385.400000
Exact Mass
385.131408
SMILES
C1CC(=O)N(C1=O)OC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2
InChI
InChI=1S/C24H19NO4/c26-20-13-14-21(27)25(20)29-22(28)6-2-3-15-7-8-18-10-9-16-4-1-5-17-11-12-19(15)24(18)23(16)17/h1,4-5,7-12H,2-3,6,13-14H2
InChIKey
YBNMDCCMCLUHBL-UHFFFAOYSA-N
Synonyms
1-Succinimidyl-3'-pyrenebutyrate DTXSID90150902 RefChem:77237 DTXCID3073393 2,5-DIOXOPYRROLIDIN-1-YL 4-(PYREN-1-YL)BUTANOATE

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
110.26
TPSA
63.68

LogP / Solubility

WLOGP
4.51
MLOGP
3.99
XLogP3
4.6
Consensus LogP
4.37
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.51
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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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