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CAS 1071400-41-3 N-[3-(hydrazinocarbonyl)phenyl]-3-methylbenzamide molecular structure lightbox
CAS RN: 1071400-41-3

N-[3-(hydrazinocarbonyl)phenyl]-3-methylbenzamide

CAS 1071400-41-3, known as N-[3-(hydrazinocarbonyl)phenyl]-3-methylbenzamide, is a chemical compound with a molecular formula of C15H15N3O2. Starshine Chemical supplies premium 1071400-41-3 directly from stock, offering flexible packaging sizes and various purity grades (e.g., ≥95%) to meet your exact R&D and manufacturing needs.

  • Product code: starshine_CAS1071400-41-3
  • Purity/Analytical Methods: >99.0%
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1071400-41-3 / N-[3-(hydrazinecarbonyl)phenyl]-3-methylbenzamide

N-[3-(hydrazinocarbonyl)phenyl]-3-methylbenzamide | N-[3-(hydrazinecarbonyl)phenyl]-3-methylbenzamide | MFCD02255617

Standard CAS: 1071400-41-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1071400-41-3
Multi CAS
No
Molecular Formula
C15H15N3O2
Molecular Weight
269.300000
Exact Mass
269.116427
SMILES
CC1=CC(=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)NN
InChI
InChI=1S/C15H15N3O2/c1-10-4-2-5-11(8-10)14(19)17-13-7-3-6-12(9-13)15(20)18-16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
InChIKey
CVWOGFBYRMAIQV-UHFFFAOYSA-N
Synonyms
N-[3-(hydrazinocarbonyl)phenyl]-3-methylbenzamide N-[3-(hydrazinecarbonyl)phenyl]-3-methylbenzamide MFCD02255617 N-(3-(Hydrazinecarbonyl)phenyl)-3-methylbenzamide ALBB-003920

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
77.23
TPSA
84.22

LogP / Solubility

WLOGP
1.85
MLOGP
1.64
XLogP3
1.6
Consensus LogP
1.7
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

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
1.5

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