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CAS 1259162-41-8 N’,N’-Diphenyl-1H-pyrrole-2-carbohydrazide molecular structure lightbox
CAS RN: 1259162-41-8

N’,N’-Diphenyl-1H-pyrrole-2-carbohydrazide

  • Product code: SSC-031290
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 10g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1259162-41-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
10g ≥95% 4 In Stock Beijing Inquiry
5g ≥95% 3 In Stock Hong Kong Inquiry

1259162-41-8 / N',N'-diphenyl-1H-pyrrole-2-carbohydrazide

Standard CAS: 1259162-41-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1259162-41-8
Multi CAS
No
Molecular Formula
C17H15N3O
Molecular Weight
277.320000
Exact Mass
277.121512
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)NC(=O)C3=CC=CN3
InChI
InChI=1S/C17H15N3O/c21-17(16-12-7-13-18-16)19-20(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,18H,(H,19,21)
InChIKey
CEWWRBJGZUUDAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
17
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
83.28
TPSA
48.13

LogP / Solubility

WLOGP
3.5
MLOGP
3.09
XLogP3
3.9
Consensus LogP
3.5
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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