CAS RN: 270063-46-2
FMOC-(S)-3-AMINO-4-(3-BENZOTHIENYL)-BUTYRIC ACID
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.20260216 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-125556
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 | Shenzhen | Inquiry |
270063-46-2 / (3S)-4-(1-benzothiophen-3-yl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Basic Information
CAS
270063-46-2
Multi CAS
No
Molecular Formula
C27H23NO4S
Molecular Weight
457.500000
Exact Mass
457.134779
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CSC5=CC=CC=C54)CC(=O)O
InChI
InChI=1S/C27H23NO4S/c29-26(30)14-18(13-17-16-33-25-12-6-5-7-19(17)25)28-27(31)32-15-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-12,16,18,24H,13-15H2,(H,28,31)(H,29,30)/t18-/m0/s1
InChIKey
AOUNLYYDVNQRKT-SFHVURJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
129.77
TPSA
75.63
LogP / Solubility
WLOGP
5.83
MLOGP
5.16
XLogP3
5.6
Consensus LogP
5.53
Log S (ESOL)
-6.36
Class (ESOL)
Insoluble
Log S (Ali)
-7.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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