CAS RN: 3789-75-1
Scarlet 808
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: starshine_CAS3789-75-1
- Purity/Analytical Methods: >99.0%
3789-75-1 / N-naphthalen-1-yl-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
Basic Information
CAS
3789-75-1
Multi CAS
Yes
Molecular Formula
C23H17N3O2
Molecular Weight
367.400000
Exact Mass
367.132077
InChI
InChI=1S/C23H17N3O2/c27-22(25-21-14-6-10-17-8-2-4-13-20(17)21)23(28)26-24-15-18-11-5-9-16-7-1-3-12-19(16)18/h1-15H,(H,25,27)(H,26,28)/b24-15+
InChIKey
WHVMFGZOBMOUKS-BUVRLJJBSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
20
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
112.26
TPSA
70.56
LogP / Solubility
WLOGP
4.08
MLOGP
3.61
XLogP3
4.9
Consensus LogP
4.2
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
H-ASP-GLY-OH
- CAS RN: 3790-51-0
- Product Code: starshine_CAS3790-51-0
- Purity/Analytical method: >99.0%
-
H-ASP(GLY-OH)-OH
- CAS RN: 3790-52-1
- Product Code: starshine_CAS3790-52-1
- Purity/Analytical method: >99.0%
-
CIS-NEROLIDOL
- CAS RN: 3790-78-1
- Product Code: starshine_CAS3790-78-1
- Purity/Analytical method: >99.0%
-
-
2-FLUORODIPHENYLMETHANE
- CAS RN: 3794-15-8
- Product Code: starshine_CAS3794-15-8
- Purity/Analytical method: >99.0%
