CAS RN: 1331894-57-5
N-Acetyl-S-(2-hydroxyethyl-d4)-L-cysteine Dicyclohexylamine 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.20250418 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1331894-57-5
- Purity/Analytical Methods: >99.0%
1331894-57-5 / (2R)-2-acetamido-3-(1,1,2,2-tetradeuterio-2-hydroxyethyl)sulfanylpropanoic acid;N-cyclohexylcyclohexanamine
Basic Information
CAS
1331894-57-5
Multi CAS
No
Molecular Formula
C19H36N2O4S
Molecular Weight
392.600000
Exact Mass
392.264686
SMILES
[2H]C([2H])(C([2H])([2H])SC[C@@H](C(=O)O)NC(=O)C)O.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C12H23N.C7H13NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(10)8-6(7(11)12)4-13-3-2-9/h11-13H,1-10H2;6,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t;6-/m.0/s1/i;2D2,3D2
InChIKey
XLGHARKAPCCVFZ-XAEDZKCESA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.89
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
4
Molar refractivity
106.53
TPSA
98.66
LogP / Solubility
WLOGP
2.54
MLOGP
2.26
XLogP3
2.54
Consensus LogP
2.45
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
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)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
N-(Acetyl-d3)-S-allyl-L-cysteine
- CAS RN: 1331907-55-1
- Product Code: starshine_CAS1331907-55-1
- Purity/Analytical method: >99.0%
-
Phenylacetyl-d5 L-Glutamine
- CAS RN: 1331909-01-3
- Product Code: starshine_CAS1331909-01-3
- Purity/Analytical method: >99.0%
-
N-Acetyl-S-(2,5-dimethylbenzene)-L-cysteine-d3
- CAS RN: 1331909-07-9
- Product Code: starshine_CAS1331909-07-9
- Purity/Analytical method: >99.0%
-
N-Acetyl-S-(propyl-d7)-L-cysteine
- CAS RN: 1331909-69-3
- Product Code: starshine_CAS1331909-69-3
- Purity/Analytical method: >99.0%
-
[2-Fluoro-4-(hydroxyMethyl)phenyl]boronic acid
- CAS RN: 1331945-14-2
- Product Code: SSC-039873
-
MIL-101(Cr)-SO3H
- CAS RN: 1331961-41-1
- Product Code: starshine_CAS1331961-41-1
- Purity/Analytical method: >99.0%
![CAS 1331945-14-2 [2-Fluoro-4-(hydroxyMethyl)phenyl]boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1331945-14-2.gif)
