![CAS 916484-75-8 (Tert-Butoxy)Carbonyl Ser((9H-Fluoren-9-yl)MethOxy]Carbonyl Tyr(tBu))-OH molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/916484-75-8.gif)
CAS RN: 916484-75-8
(Tert-Butoxy)Carbonyl Ser((9H-Fluoren-9-yl)MethOxy]Carbonyl Tyr(tBu))-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.20250708 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-205000
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 | Shanghai | Inquiry |
916484-75-8 / (2S)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Basic Information
CAS
916484-75-8
Multi CAS
No
Molecular Formula
C36H42N2O9
Molecular Weight
646.700000
Exact Mass
646.289031
InChI
InChI=1S/C36H42N2O9/c1-35(2,3)46-23-17-15-22(16-18-23)19-29(32(41)44-21-30(31(39)40)38-34(43)47-36(4,5)6)37-33(42)45-20-28-26-13-9-7-11-24(26)25-12-8-10-14-27(25)28/h7-18,28-30H,19-21H2,1-6H3,(H,37,42)(H,38,43)(H,39,40)/t29-,30-/m0/s1
InChIKey
XXGKFCHEAJFPPL-KYJUHHDHSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
18
Fraction Csp3
0.39
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
3
Molar refractivity
174.27
TPSA
149.49
LogP / Solubility
WLOGP
5.83
MLOGP
5.19
XLogP3
6.3
Consensus LogP
5.77
Log S (ESOL)
-7.08
Class (ESOL)
Insoluble
Log S (Ali)
-9.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.52
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
5.5
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