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CAS 6471-50-7 4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide molecular structure lightbox
CAS RN: 6471-50-7

4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251017 25mg / 50mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS6471-50-7
  • Purity/Analytical Methods: >99.0%
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6471-50-7 / 4-[(4-chloro-2-nitrophenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide

Standard CAS: 6471-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6471-50-7
Multi CAS
No
Molecular Formula
C24H17CLN4O4
Molecular Weight
460.900000
Exact Mass
460.093833
InChI
InChI=1S/C24H17ClN4O4/c1-14-6-2-5-9-19(14)26-24(31)18-12-15-7-3-4-8-17(15)22(23(18)30)28-27-20-11-10-16(25)13-21(20)29(32)33/h2-13,30H,1H3,(H,26,31)
InChIKey
WXHYPQWKGYEJKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
22
Fraction Csp3
0.04
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
127.03
TPSA
117.19

LogP / Solubility

WLOGP
7.08
MLOGP
6.26
XLogP3
6.8
Consensus LogP
6.71
Log S (ESOL)
-7.32
Class (ESOL)
Insoluble
Log S (Ali)
-8.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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