CAS RN: 166169-98-8
N-Methyl-S-(triphenylmethyl)-L-cysteine
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.20250504 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS166169-98-8
- Purity/Analytical Methods: >99.0%
166169-98-8 / (2R)-2-(methylamino)-3-tritylsulfanylpropanoic acid
Basic Information
CAS
166169-98-8
Multi CAS
No
Molecular Formula
C23H23NO2S
Molecular Weight
377.500000
Exact Mass
377.144950
SMILES
CN[C@@H](CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C23H23NO2S/c1-24-21(22(25)26)17-27-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,17H2,1H3,(H,25,26)/t21-/m0/s1
InChIKey
PXMXFOSNVQYOOX-NRFANRHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
112.15
TPSA
49.33
LogP / Solubility
WLOGP
4.38
MLOGP
3.88
XLogP3
2.5
Consensus LogP
3.59
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.71
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.91
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
-
-
(R)-1-[(S)-2-[Bis[4-(trifluoromethyl)phenyl]phosphino]ferroce nyl]ethylbis[4-(trifluoromethyl)phenyl]phosphine
- CAS RN: 166172-60-7
- Product Code: SSC-072536
-
(R)-(-)-1-[(S)-2-(DI(3,5-BIS-TRIFLUOROMETHYLPHENYL)PHOSPHINO)FERROCENYL]ETHYLDI(3,5-DIMETHYLPHENYL)PHOSPHINE
- CAS RN: 166172-63-0
- Product Code: SSC-072537
-
(S)-1-[(R)-2-Di-(3,5-bis(trifluoromethyl)phenyl)phosphino)-ferrocenyl]-ethyl-di-(3,5-xylyl)-phosphine
- CAS RN: 166172-66-3
- Product Code: starshine_CAS166172-66-3
- Purity/Analytical method: >99.0%
-
Pt-tetraphenyltetrabenzoporphyrin
- CAS RN: 166174-05-6
- Product Code: starshine_CAS166174-05-6
- Purity/Analytical method: >99.0%
-
![CAS 166172-60-7 (R)-1-[(S)-2-[Bis[4-(trifluoromethyl)phenyl]phosphino]ferroce nyl]ethylbis[4-(trifluoromethyl)phenyl]phosphine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/166172-60-7.gif)
![CAS 166172-63-0 (R)-(-)-1-[(S)-2-(DI(3,5-BIS-TRIFLUOROMETHYLPHENYL)PHOSPHINO)FERROCENYL]ETHYLDI(3,5-DIMETHYLPHENYL)PHOSPHINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/166172-63-0.gif)
![CAS 166172-66-3 (S)-1-[(R)-2-Di-(3,5-bis(trifluoromethyl)phenyl)phosphino)-ferrocenyl]-ethyl-di-(3,5-xylyl)-phosphine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/166172-66-3.gif)
![CAS 166176-45-0 6-CHLORO-IMIDAZO[1,2-B]PYRIDAZIN-3-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/166176-45-0.gif)