CAS RN: 36092-42-9
DL-BENZYLSUCCINIC 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.20260318 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS36092-42-9
- Purity/Analytical Methods: >99.0%
36092-42-9 / 2-benzylbutanedioic acid
Basic Information
CAS
36092-42-9
Multi CAS
No
Molecular Formula
C11H12O4
Molecular Weight
208.210000
Exact Mass
208.073559
InChI
InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
InChIKey
GTOFKXZQQDSVFH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.52
TPSA
74.6
LogP / Solubility
WLOGP
1.4
MLOGP
1.24
XLogP3
1.2
Consensus LogP
1.28
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
8-METHOXY-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE
- CAS RN: 36093-58-0
- Product Code: starshine_CAS36093-58-0
- Purity/Analytical method: >99.0%
-
AC-HIS-OME
- CAS RN: 36097-48-0
- Product Code: starshine_CAS36097-48-0
- Purity/Analytical method: >99.0%
-
F16
- CAS RN: 36098-33-6
- Product Code: starshine_CAS36098-33-6
- Purity/Analytical method: >99.0%
-
4-Pyridinecarboxylic acid, 3-cyano-, Methyl ester
- CAS RN: 36106-47-5
- Product Code: starshine_CAS36106-47-5
- Purity/Analytical method: >99.0%
-
5,7-Dichloroquinolin-8-amine
- CAS RN: 36107-01-4
- Product Code: starshine_CAS36107-01-4
- Purity/Analytical method: >99.0%
-
