CAS RN: 51818-11-2
2,5-DISULPHOBENZALDEHYDE
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS51818-11-2
- Purity/Analytical Methods: >99.0%
51818-11-2 / 2-formylbenzene-1,4-disulfonic acid
Basic Information
CAS
51818-11-2
Multi CAS
Yes
Molecular Formula
C7H6O7S2
Molecular Weight
266.300000
Exact Mass
265.955495
InChI
InChI=1S/C7H6O7S2/c8-4-5-3-6(15(9,10)11)1-2-7(5)16(12,13)14/h1-4H,(H,9,10,11)(H,12,13,14)/p-2
InChIKey
DILXLMRYFWFBGR-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
51.46
TPSA
125.81
LogP / Solubility
WLOGP
-0.01
XLogP3
-1.1
Consensus LogP
-0.37
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
N-(4-Formyl-2-nitrophenyl)acetamide
- CAS RN: 51818-98-5
- Product Code: starshine_CAS51818-98-5
- Purity/Analytical method: >99.0%
-
-
2′-O-Methylisoliquiritigenin
- CAS RN: 51828-10-5
- Product Code: starshine_CAS51828-10-5
- Purity/Analytical method: >99.0%
-
-
4-METHYLTHIO-2-OXOBUTANOIC ACID SODIUM SALT
- CAS RN: 51828-97-8
- Product Code: starshine_CAS51828-97-8
- Purity/Analytical method: >99.0%
