CAS RN: 4816-82-4
N-tosyl-L-aspartic 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.20250425 | 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4816-82-4
- Purity/Analytical Methods: >99.0%
4816-82-4 / (2S)-2-[(4-methylphenyl)sulfonylamino]butanedioic acid
Basic Information
CAS
4816-82-4
Multi CAS
Yes
Molecular Formula
C11H13NO6S
Molecular Weight
287.290000
Exact Mass
287.046358
InChI
InChI=1S/C11H13NO6S/c1-7-2-4-8(5-3-7)19(17,18)12-9(11(15)16)6-10(13)14/h2-5,9,12H,6H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKey
SVCQSZKHLAERDL-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
65.18
TPSA
120.77
LogP / Solubility
WLOGP
0.2
MLOGP
0.19
XLogP3
0.4
Consensus LogP
0.26
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately 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)
-4.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
2-N-PENTYLCYCLOPENTANONE
- CAS RN: 4819-67-4
- Product Code: starshine_CAS4819-67-4
- Purity/Analytical method: >99.0%
-
-
2-ethoxyoxane
- CAS RN: 4819-83-4
- Product Code: starshine_CAS4819-83-4
- Purity/Analytical method: >99.0%
-
-
2,4-Pentanediol, 2-methyl-, 4-acetate
- CAS RN: 4833-08-3
- Product Code: starshine_CAS4833-08-3
- Purity/Analytical method: >99.0%
-
