![CAS 1099592-35-4 2-hydroxy-N’-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1099592-35-4.gif)
CAS RN: 1099592-35-4
2-hydroxy-N’-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide
Product Availability
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4 package records1 with current stock1 grade group
- Product code: starshine_CAS1099592-35-4
- Purity/Analytical Methods: >99.0%
1099592-35-4 / 2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SD49-7 | 2-hydroxy-n'-((2-hydroxynaphthalen-1-yl)methylene)benzohydrazide | orb1685574
Basic Information
CAS
1099592-35-4
Multi CAS
Yes
Molecular Formula
C18H14N2O3
Molecular Weight
306.300000
Exact Mass
306.100442
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C3=CC=CC=C3O)O
InChI
InChI=1S/C18H14N2O3/c21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,21-22H,(H,20,23)/b19-11+
InChIKey
ZZSJOLDICPVVAV-YBFXNURJSA-N
Synonyms
SD49-7
2-hydroxy-n'-((2-hydroxynaphthalen-1-yl)methylene)benzohydrazide
orb1685574
SCHEMBL1637575
SCHEMBL27176090
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
88.78
TPSA
81.92
LogP / Solubility
WLOGP
3.01
MLOGP
2.67
XLogP3
3.9
Consensus LogP
3.19
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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