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CAS 117901-97-0 N,N’-Bis[3-(dimethylamino)propyl]perylene-3,4,9,10-tetracarboxylic Diimide molecular structure lightbox
CAS RN: 117901-97-0

N,N’-Bis[3-(dimethylamino)propyl]perylene-3,4,9,10-tetracarboxylic Diimide

Product Availability

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7 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260308 1g In stock Inquiry
Batchno.20250329 250mg In stock Inquiry
Batchno.20260218 50mg In stock Inquiry
Batchno.20250806 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250202 100mg / 500mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260325 100mg Out of stock Inquiry
Batchno.20250324 250mg Out of stock Inquiry
  • Product code: SSC-017725
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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 117901-97-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

117901-97-0 / 7,18-bis[3-(dimethylamino)propyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

DAPER DNA PRECIPITATION REAGENT* | PDIN | N,N'-Bis[3-(dimethylamino)propyl]perylene-3,4,9,10-tetracarboxylic diimide

Standard CAS: 117901-97-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117901-97-0
Multi CAS
No
Molecular Formula
C34H32N4O4
Molecular Weight
560.600000
Exact Mass
560.242356
SMILES
CN(C)CCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCN(C)C)C1=O
InChI
InChI=1S/C34H32N4O4/c1-35(2)15-5-17-37-31(39)23-11-7-19-21-9-13-25-30-26(34(42)38(33(25)41)18-6-16-36(3)4)14-10-22(28(21)30)20-8-12-24(32(37)40)29(23)27(19)20/h7-14H,5-6,15-18H2,1-4H3
InChIKey
ASCSVRAUWKNNCO-UHFFFAOYSA-N
Synonyms
DAPER DNA PRECIPITATION REAGENT* PDIN N,N'-Bis[3-(dimethylamino)propyl]perylene-3,4,9,10-tetracarboxylic diimide MFCD03791075 2,9-Bis(3-(dimethylamino)propyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
20
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
6
Molar refractivity
164.73
TPSA
81.24

LogP / Solubility

WLOGP
4.83
MLOGP
4.3
XLogP3
4.5
Consensus LogP
4.54
Log S (ESOL)
-6.18
Class (ESOL)
Insoluble
Log S (Ali)
-7.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.28
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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