[email protected]
CAS 1160-77-6 3-HYDROXYBENZALDEHYDE 2,4-DINITROPHENYLHYDRAZONE molecular structure lightbox
CAS RN: 1160-77-6

3-HYDROXYBENZALDEHYDE 2,4-DINITROPHENYLHYDRAZONE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1160-77-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1160-77-6 / 3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol

AKOS016868351 | DB-015625

Standard CAS: 1160-77-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1160-77-6
Multi CAS
Yes
Molecular Formula
C13H10N4O5
Molecular Weight
302.240000
Exact Mass
302.065119
SMILES
C1=CC(=CC(=C1)O)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H10N4O5/c18-11-3-1-2-9(6-11)8-14-15-12-5-4-10(16(19)20)7-13(12)17(21)22/h1-8,15,18H/b14-8+
InChIKey
NFICGVFXASYDJR-RIYZIHGNSA-N
Synonyms
AKOS016868351 DB-015625

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
79.07
TPSA
130.9

LogP / Solubility

WLOGP
2.65
MLOGP
2.35
XLogP3
2.1
Consensus LogP
2.37
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.43
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)
-2.68

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

Customers Also Viewed

Get In Touch

Contact Us