![CAS 1584646-97-8 (9H-Fluoren-9-yl)MethOxy]Carbonyl Cys(Msbh)-OH molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1584646-97-8.gif)
CAS RN: 1584646-97-8
(9H-Fluoren-9-yl)MethOxy]Carbonyl Cys(Msbh)-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.20250108 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-066832
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: >95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 0 Out of Stock | Beijing | Inquiry |
1584646-97-8 / (2R)-3-[bis(4-methylsulfinylphenyl)methylsulfanyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Basic Information
CAS
1584646-97-8
Multi CAS
No
Molecular Formula
C33H31NO6S3
Molecular Weight
633.800000
Exact Mass
633.131351
SMILES
CS(=O)C1=CC=C(C=C1)C(C2=CC=C(C=C2)S(=O)C)SC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C33H31NO6S3/c1-42(38)23-15-11-21(12-16-23)31(22-13-17-24(18-14-22)43(2)39)41-20-30(32(35)36)34-33(37)40-19-29-27-9-5-3-7-25(27)26-8-4-6-10-28(26)29/h3-18,29-31H,19-20H2,1-2H3,(H,34,37)(H,35,36)/t30-,31?,42?,43?/m0/s1
InChIKey
WQHODDKSFIACDC-CXJURYCMSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
24
Fraction Csp3
0.21
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
2
Molar refractivity
171.48
TPSA
109.77
LogP / Solubility
WLOGP
5.98
MLOGP
5.31
XLogP3
4.8
Consensus LogP
5.36
Log S (ESOL)
-7.22
Class (ESOL)
Insoluble
Log S (Ali)
-9.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
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![CAS 1585988-92-6 “(11aS)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-di-9-phenanthrenyl-5-oxide-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1585988-92-6.gif)
