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CAS 1176-09-6 Raptinal molecular structure lightbox
CAS RN: 1176-09-6

Raptinal

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250221 25mg In stock Shanghai Inquiry
  • Product code: SSC-017440
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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: 0.25g
  • 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 1176-09-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1176-09-6 / 9-(9-formylfluoren-9-yl)fluorene-9-carbaldehyde

9H,9'H-[9,9'-Bifluorene]-9,9'-dicarbaldehyde | 9H,9'H-(9,9'-bifluorene)-9,9'-dicarbaldehyde | RefChem:549925

Standard CAS: 1176-09-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1176-09-6
Multi CAS
Yes
Molecular Formula
C28H18O2
Molecular Weight
386.400000
Exact Mass
386.130680
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2(C=O)C4(C5=CC=CC=C5C6=CC=CC=C64)C=O
InChI
InChI=1S/C28H18O2/c29-17-27(23-13-5-1-9-19(23)20-10-2-6-14-24(20)27)28(18-30)25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-18H
InChIKey
GLANOOJJBKXTMI-UHFFFAOYSA-N
Synonyms
9H,9'H-[9,9'-Bifluorene]-9,9'-dicarbaldehyde 9H,9'H-(9,9'-bifluorene)-9,9'-dicarbaldehyde RefChem:549925 996-002-2 Raptinal

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
24
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
117.44
TPSA
34.14

LogP / Solubility

WLOGP
5.32
MLOGP
4.7
XLogP3
4.9
Consensus LogP
4.97
Log S (ESOL)
-5.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.95
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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