CAS RN: 198543-46-3
FMOC-CYS(ACM)-OL
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.20250922 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS198543-46-3
- Purity/Analytical Methods: >99.0%
198543-46-3 / 9H-fluoren-9-ylmethyl N-[(2R)-1-(acetamidomethylsulfanyl)-3-hydroxypropan-2-yl]carbamate
Basic Information
CAS
198543-46-3
Multi CAS
No
Molecular Formula
C21H24N2O4S
Molecular Weight
400.500000
Exact Mass
400.145678
SMILES
CC(=O)NCSC[C@@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H24N2O4S/c1-14(25)22-13-28-12-15(10-24)23-21(26)27-11-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,15,20,24H,10-13H2,1H3,(H,22,25)(H,23,26)/t15-/m1/s1
InChIKey
ILFFSHOJZXAWJQ-OAHLLOKOSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
3
Molar refractivity
110.22
TPSA
87.66
LogP / Solubility
WLOGP
2.71
MLOGP
2.41
XLogP3
2.5
Consensus LogP
2.54
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.24
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
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- CAS RN: 198545-00-5
- Product Code: starshine_CAS198545-00-5
- Purity/Analytical method: >99.0%
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