CAS RN: 91088-55-0
N-Acetyl-S-(4-nitrophenyl)-L-cysteine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250709 | 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTA1351
- Purity/Analytical Methods: >98.0%(T)
91088-55-0 / (2R)-2-acetamido-3-(4-nitrophenyl)sulfanylpropanoic acid
Basic Information
CAS
91088-55-0
Multi CAS
Yes
Molecular Formula
C11H12N2O5S
Molecular Weight
284.290000
Exact Mass
284.046693
InChI
InChI=1S/C11H12N2O5S/c1-7(14)12-10(11(15)16)6-19-9-4-2-8(3-5-9)13(17)18/h2-5,10H,6H2,1H3,(H,12,14)(H,15,16)/t10-/m0/s1
InChIKey
LOBKSYPZBSVLLE-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
69.06
TPSA
109.54
LogP / Solubility
WLOGP
1.28
MLOGP
1.13
XLogP3
1.2
Consensus LogP
1.2
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55
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
2
Customers Also Viewed
-
(S)-4-Amino-2-(tert-butoxycarbonylamino)butyric Acid
- CAS RN: 25691-37-6
- Product Code: SSC-122109
-
(R)-(-)-2,3-Diaminopropionic Acid Hydrochloride
- CAS RN: 6018-56-0
- Product Code: SSC-168746
-
(S)-3-Amino-2-(tert-butoxycarbonylamino)propionic Acid
- CAS RN: 73259-81-1
- Product Code: SSC-182724
-
(S)-2-(tert-Butoxycarbonyl)isoxazolidine-3-carboxylic Acid
- CAS RN: 1372202-46-4
- Product Code: SSC-046686
-
-
