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CAS RN: 1356934-59-2
N-Acetyl-S-(2-hydroxypropyl)cysteine-d3 DicyclohexylaMMoniuM Salt
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.20250707 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1356934-59-2
- Purity/Analytical Methods: >99.0%
1356934-59-2 / N-cyclohexylcyclohexanamine;(2R)-3-(2-hydroxypropylsulfanyl)-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid
Basic Information
CAS
1356934-59-2
Multi CAS
No
Molecular Formula
C20H38N2O4S
Molecular Weight
405.600000
Exact Mass
405.274059
SMILES
[2H]C([2H])([2H])C(=O)N[C@@H](CSCC(C)O)C(=O)O.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C12H23N.C8H15NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(10)3-14-4-7(8(12)13)9-6(2)11/h11-13H,1-10H2;5,7,10H,3-4H2,1-2H3,(H,9,11)(H,12,13)/t;5?,7-/m.0/s1/i;2D3
InChIKey
QMBCHTMPMCAKAX-QVMWVPAKSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.9
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
4
Molar refractivity
111.13
TPSA
98.66
LogP / Solubility
WLOGP
2.93
MLOGP
2.6
XLogP3
2.93
Consensus LogP
2.82
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P391, and P501
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