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CAS 200698-05-1 9-Benzylcarbazole-3,6-dicarboxaldehyde molecular structure lightbox
CAS RN: 200698-05-1

9-Benzylcarbazole-3,6-dicarboxaldehyde

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251127 100mg In stock Shanghai Inquiry
  • Product code: SSC-094624
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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 200698-05-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

200698-05-1 / 9-benzylcarbazole-3,6-dicarbaldehyde

Standard CAS: 200698-05-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
200698-05-1
Multi CAS
No
Molecular Formula
C21H15NO2
Molecular Weight
313.300000
Exact Mass
313.110279
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C=O)C4=C2C=CC(=C4)C=O
InChI
InChI=1S/C21H15NO2/c23-13-16-6-8-20-18(10-16)19-11-17(14-24)7-9-21(19)22(20)12-15-4-2-1-3-5-15/h1-11,13-14H,12H2
InChIKey
RZSXZJXJVWYRIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
19
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
95.76
TPSA
39.07

LogP / Solubility

WLOGP
4.47
MLOGP
3.95
XLogP3
3.9
Consensus LogP
4.11
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.46

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

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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