CAS RN: 1418311-56-4
1418311-56-4
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260621 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260201 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260121 | 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250623 | 250mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20251012 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-052554
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 | Hong Kong | Inquiry |
1418311-56-4 / (3aR,6aS)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
Basic Information
CAS
1418311-56-4
Multi CAS
No
Molecular Formula
C23H23NO4
Molecular Weight
377.400000
Exact Mass
377.162708
SMILES
C1C[C@@H]2CN(C([C@@H]2C1)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H23NO4/c25-22(26)21-15-11-5-6-14(15)12-24(21)23(27)28-13-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,14-15,20-21H,5-6,11-13H2,(H,25,26)/t14-,15-,21?/m1/s1
InChIKey
FRLLHKLZUAQUKC-CETIQBBDSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
104.03
TPSA
66.84
LogP / Solubility
WLOGP
4.12
MLOGP
3.65
XLogP3
4.2
Consensus LogP
3.99
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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