CAS RN: 526210-71-9
FMOC-MEHCYS(TRT)-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.20260126 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS526210-71-9
- Purity/Analytical Methods: >99.0%
526210-71-9 / (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-tritylsulfanylbutanoic acid
Basic Information
CAS
526210-71-9
Multi CAS
Yes
Molecular Formula
C39H35NO4S
Molecular Weight
613.800000
Exact Mass
613.228680
InChI
InChI=1S/C39H35NO4S/c1-40(38(43)44-27-35-33-23-13-11-21-31(33)32-22-12-14-24-34(32)35)36(37(41)42)25-26-45-39(28-15-5-2-6-16-28,29-17-7-3-8-18-29)30-19-9-4-10-20-30/h2-24,35-36H,25-27H2,1H3,(H,41,42)/t36-/m0/s1
InChIKey
XVDJDZSADBCCPL-BHVANESWSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
30
Fraction Csp3
0.18
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
1
Molar refractivity
180.54
TPSA
66.84
LogP / Solubility
WLOGP
8.44
MLOGP
7.47
XLogP3
8.5
Consensus LogP
8.14
Log S (ESOL)
-8.73
Class (ESOL)
Insoluble
Log S (Ali)
-10.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.97
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.47
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
Customers Also Viewed
-
-
N-(3R)-1-AZABICYCLO[2.2.2]OCT-3-YL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-CARBOXAMIDE FUMARATE
- CAS RN: 527680-56-4
- Product Code: starshine_CAS527680-56-4
- Purity/Analytical method: >99.0%
-
2-Pyridinecarboxylicacid,4,5-dihydroxy-,methylester(9CI)
- CAS RN: 527681-11-4
- Product Code: SSC-159887
-
Methyl 3,4-dihydro-2H-chroMene-7-carboxylate
- CAS RN: 527681-32-9
- Product Code: starshine_CAS527681-32-9
- Purity/Analytical method: >99.0%
-
3,4-DIHYDRO-2H-1-BENZOPYRAN-7-CARBOXYLIC ACID
- CAS RN: 527681-33-0
- Product Code: SSC-159888
-
3,4-dihydro-2H-Pyrano[2,3-c]pyridine-6-methanol
- CAS RN: 527681-60-3
- Product Code: SSC-159889
![CAS 527680-56-4 N-(3R)-1-AZABICYCLO[2.2.2]OCT-3-YL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-CARBOXAMIDE FUMARATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/527680-56-4.gif)
![CAS 527681-60-3 3,4-dihydro-2H-Pyrano[2,3-c]pyridine-6-methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/527681-60-3.gif)