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CAS 121073-91-4 9H-Carbazole, 3-nitro-9-phenyl- molecular structure lightbox
CAS RN: 121073-91-4

9H-Carbazole, 3-nitro-9-phenyl-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251227 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-022424
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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 121073-91-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

121073-91-4 / 3-nitro-9-phenylcarbazole

3-NITRO-9-PHENYL-9H-CARBAZOLE | 9H-Carbazole, 3-nitro-9-phenyl- | 3-nitro-9-phenylcarbazole

Standard CAS: 121073-91-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
121073-91-4
Multi CAS
No
Molecular Formula
C18H12N2O2
Molecular Weight
288.300000
Exact Mass
288.089878
SMILES
C1=CC=C(C=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C42
InChI
InChI=1S/C18H12N2O2/c21-20(22)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19(18)13-6-2-1-3-7-13/h1-12H
InChIKey
DWBVPXSJQPWOTO-UHFFFAOYSA-N
Synonyms
3-NITRO-9-PHENYL-9H-CARBAZOLE 9H-Carbazole, 3-nitro-9-phenyl- 3-nitro-9-phenylcarbazole SCHEMBL18109210 SCHEMBL28290620

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
19
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
87.44
TPSA
48.07

LogP / Solubility

WLOGP
4.69
MLOGP
4.14
XLogP3
4.8
Consensus LogP
4.54
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.15

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

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