![CAS 67990-05-0 N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/67990-05-0.gif)
CAS RN: 67990-05-0
N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260101 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS67990-05-0
- Purity/Analytical Methods: >99.0%
67990-05-0 / N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
Basic Information
CAS
67990-05-0
Multi CAS
Yes
Molecular Formula
C32H25CLN4O5
Molecular Weight
581.000000
Exact Mass
580.151348
InChI
InChI=1S/C32H25ClN4O5/c1-41-27-15-13-21(33)18-25(27)35-32(40)24-16-19-8-6-7-11-23(19)29(30(24)38)37-36-26-17-20(12-14-28(26)42-2)31(39)34-22-9-4-3-5-10-22/h3-18,38H,1-2H3,(H,34,39)(H,35,40)
InChIKey
IBHCUBFBUGYOHF-UHFFFAOYSA-N
Physical Properties
Physical Description
Dry Powder, Liquid; Dry Powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
28
Fraction Csp3
0.06
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
3
Molar refractivity
163.14
TPSA
121.61
LogP / Solubility
WLOGP
8.14
MLOGP
7.21
XLogP3
7.4
Consensus LogP
7.58
Log S (ESOL)
-8.53
Class (ESOL)
Insoluble
Log S (Ali)
-10.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.49
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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