CAS RN: 2197160-12-4
(S)-2-N-Fmoc-6-fluoro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic 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.20251118 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-105672
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 |
2197160-12-4 / (3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Basic Information
CAS
2197160-12-4
Multi CAS
No
Molecular Formula
C25H20FNO4
Molecular Weight
417.400000
Exact Mass
417.137636
SMILES
C1[C@H](N(CC2=C1C=C(C=C2)F)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C25H20FNO4/c26-17-10-9-15-13-27(23(24(28)29)12-16(15)11-17)25(30)31-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-11,22-23H,12-14H2,(H,28,29)/t23-/m0/s1
InChIKey
MJEXVBQCRYYZLO-QHCPKHFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
112.14
TPSA
66.84
LogP / Solubility
WLOGP
4.59
MLOGP
4.06
XLogP3
4.5
Consensus LogP
4.38
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.54
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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