Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2496-25-5 / 4-[(4-methoxyphenyl)diazenyl]phenol
Basic Information
CAS
2496-25-5
Multi CAS
No
Molecular Formula
C13H12N2O2
Molecular Weight
228.250000
Exact Mass
228.089878
SMILES
COC1=CC=C(C=C1)N=NC2=CC=C(C=C2)O
InChI
InChI=1S/C13H12N2O2/c1-17-13-8-4-11(5-9-13)15-14-10-2-6-12(16)7-3-10/h2-9,16H,1H3
InChIKey
WEFGJDSWBHPXOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.28
TPSA
54.18
LogP / Solubility
WLOGP
3.82
MLOGP
3.36
XLogP3
3.3
Consensus LogP
3.49
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
N1,N1-DIMETHYL-3-AMINO-4-HYDROXYBENZENE-1-SULFONAMIDE
- CAS RN: 24962-75-2
- Product Code: starshine_CAS24962-75-2
- Purity/Analytical method: >99.0%
-
7-METHYLBENZO[B]NAPHTHO[2,3-D]THIOPHENE
- CAS RN: 24964-09-8
- Product Code: starshine_CAS24964-09-8
- Purity/Analytical method: >99.0%
-
2-(Benzo[d][1,3]dioxol-5-yl)-3-oxobutanenitrile
- CAS RN: 24966-30-1
- Product Code: SSC-120310
-
-
![CAS 24964-09-8 7-METHYLBENZO[B]NAPHTHO[2,3-D]THIOPHENE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24964-09-8.gif)
![CAS 24966-30-1 2-(Benzo[d][1,3]dioxol-5-yl)-3-oxobutanenitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24966-30-1.gif)
