.gif)
CAS RN: 1346616-95-2
N-Acetyl-S-(trichlorovinyl)-L-cysteine-d3
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.20250530 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1346616-95-2
- Purity/Analytical Methods: >99.0%
1346616-95-2 / (2R)-3-(1,2,2-trichloroethenylsulfanyl)-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid
Basic Information
CAS
1346616-95-2
Multi CAS
No
Molecular Formula
C7H8Cl3NO3S
Molecular Weight
295.600000
Exact Mass
293.947878
SMILES
[2H]C([2H])([2H])C(=O)N[C@@H](CSC(=C(Cl)Cl)Cl)C(=O)O
InChI
InChI=1S/C7H8Cl3NO3S/c1-3(12)11-4(7(13)14)2-15-6(10)5(8)9/h4H,2H2,1H3,(H,11,12)(H,13,14)/t4-/m0/s1/i1D3
InChIKey
NBGLMNHGJFSOCH-OSIBIXDNSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.43
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.28
TPSA
66.4
LogP / Solubility
WLOGP
2.15
MLOGP
1.9
XLogP3
2.3
Consensus LogP
2.12
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
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
-
(R)-1-AMinoindane-d3 Hydrochloride
- CAS RN: 1346616-96-3
- Product Code: starshine_CAS1346616-96-3
- Purity/Analytical method: >99.0%
-
(S)-AMlodipine-d4
- CAS RN: 1346616-97-4
- Product Code: starshine_CAS1346616-97-4
- Purity/Analytical method: >99.0%
-
L-2-AMinobutyric Acid-d5 Methyl Ester Hydrochloride
- CAS RN: 1346617-05-7
- Product Code: starshine_CAS1346617-05-7
- Purity/Analytical method: >99.0%
-
(4S)-4-hydroxy-4-(1,1,2,2,2-pentadeuterioethyl)-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10-trione
- CAS RN: 1346617-23-9
- Product Code: starshine_CAS1346617-23-9
- Purity/Analytical method: >99.0%
-
Tris(4-(2H-tetrazol- 5-yl)phenyl)amine
- CAS RN: 1346621-21-3
- Product Code: starshine_CAS1346621-21-3
- Purity/Analytical method: >99.0%
-
3-Piperidinecarboxylic acid, 2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-, (2R,3S)-
- CAS RN: 1346623-11-7
- Product Code: starshine_CAS1346623-11-7
- Purity/Analytical method: >99.0%
.gif)
.gif)
![CAS 1346617-23-9 (4S)-4-hydroxy-4-(1,1,2,2,2-pentadeuterioethyl)-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10-trione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346617-23-9.gif)
![CAS 1346623-11-7 3-Piperidinecarboxylic acid, 2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-, (2R,3S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346623-11-7.gif)