CAS RN: 75179-29-2
BOC-CYS(TRT)-OSU
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260516 | 250mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-184678
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
75179-29-2 / (2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoate
Basic Information
CAS
75179-29-2
Multi CAS
Yes
Molecular Formula
C31H32N2O6S
Molecular Weight
560.700000
Exact Mass
560.198108
InChI
InChI=1S/C31H32N2O6S/c1-30(2,3)38-29(37)32-25(28(36)39-33-26(34)19-20-27(33)35)21-40-31(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25H,19-21H2,1-3H3,(H,32,37)/t25-/m0/s1
InChIKey
JIXAKJALBJDZTP-VWLOTQADSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
1
Molar refractivity
152
TPSA
102.01
LogP / Solubility
WLOGP
5.21
MLOGP
4.63
XLogP3
5.3
Consensus LogP
5.05
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-7.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.71
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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