CAS RN: 200354-41-2
FMOC-D-CYS(MBZL)-OH
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.20251024 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS200354-41-2
- Purity/Analytical Methods: >99.0%
200354-41-2 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(4-methylphenyl)methylsulfanyl]propanoic acid
Basic Information
CAS
200354-41-2
Multi CAS
No
Molecular Formula
C26H25NO4S
Molecular Weight
447.500000
Exact Mass
447.150429
SMILES
CC1=CC=C(C=C1)CSC[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H25NO4S/c1-17-10-12-18(13-11-17)15-32-16-24(25(28)29)27-26(30)31-14-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-24H,14-16H2,1H3,(H,27,30)(H,28,29)/t24-/m1/s1
InChIKey
OQYBTXFHTQYWCZ-XMMPIXPASA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
126.97
TPSA
75.63
LogP / Solubility
WLOGP
5.22
MLOGP
4.62
XLogP3
5.2
Consensus LogP
5.01
Log S (ESOL)
-5.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.86
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)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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- Product Code: starshine_CAS200395-72-8
- Purity/Analytical method: >99.0%
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