CAS RN: 139592-37-3
(Fmoc-Cys-Otbu)2
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-050208
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: 10g
- 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 |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
139592-37-3 / tert-butyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]disulfanyl]propanoate
Basic Information
CAS
139592-37-3
Multi CAS
No
Molecular Formula
C44H48N2O8S2
Molecular Weight
797.000000
Exact Mass
796.285209
SMILES
CC(C)(C)OC(=O)[C@H](CSSC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C44H48N2O8S2/c1-43(2,3)53-39(47)37(45-41(49)51-23-35-31-19-11-7-15-27(31)28-16-8-12-20-32(28)35)25-55-56-26-38(40(48)54-44(4,5)6)46-42(50)52-24-36-33-21-13-9-17-29(33)30-18-10-14-22-34(30)36/h7-22,35-38H,23-26H2,1-6H3,(H,45,49)(H,46,50)/t37-,38-/m0/s1
InChIKey
IQCNHOFZFYLKLF-UWXQCODUSA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
24
Fraction Csp3
0.36
Rotatable bonds
13
H-bond acceptors
10
H-bond donors
2
Molar refractivity
220.59
TPSA
129.26
LogP / Solubility
WLOGP
8.87
MLOGP
7.87
XLogP3
8.5
Consensus LogP
8.41
Log S (ESOL)
-9.83
Class (ESOL)
Insoluble
Log S (Ali)
-12.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.76
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)
-1.29
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
6.5
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