[email protected]
CAS 131685-11-5 N-Acetyl-d3-L-cysteine molecular structure lightbox
CAS RN: 131685-11-5

N-Acetyl-d3-L-cysteine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251231 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS131685-11-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

131685-11-5 / (2R)-3-sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid

Standard CAS: 131685-11-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
131685-11-5
Multi CAS
No
Molecular Formula
C5H9NO3S
Molecular Weight
166.220000
Exact Mass
166.049145
SMILES
[2H]C([2H])([2H])C(=O)N[C@@H](CS)C(=O)O
InChI
InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1/i1D3
InChIKey
PWKSKIMOESPYIA-OSIBIXDNSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
39.09
TPSA
66.4

LogP / Solubility

WLOGP
-0.49
MLOGP
-0.44
XLogP3
0.4
Consensus LogP
-0.18
Log S (ESOL)
-0.34
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

Customers Also Viewed

Get In Touch

Contact Us