CAS RN: 635-54-1
Azobenzene-2,2′-dicarboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251115 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS635-54-1
- Purity/Analytical Methods: >99.0%
635-54-1 / 2-[(2-carboxyphenyl)diazenyl]benzoic acid
Basic Information
CAS
635-54-1
Multi CAS
No
Molecular Formula
C14H10N2O4
Molecular Weight
270.240000
Exact Mass
270.064057
InChI
InChI=1S/C14H10N2O4/c17-13(18)9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14(19)20/h1-8H,(H,17,18)(H,19,20)
InChIKey
OOGKXQSCDZDEFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
70.98
TPSA
99.32
LogP / Solubility
WLOGP
3.5
MLOGP
3.09
XLogP3
2.8
Consensus LogP
3.13
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88
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
1.5
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- CAS RN: 636-20-4
- Product Code: starshine_CAS636-20-4
- Purity/Analytical method: >99.0%
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