![CAS 2550906-64-2 4-Pentynoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]methylamino]-, (2S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2550906-64-2.gif)
CAS RN: 2550906-64-2
4-Pentynoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]methylamino]-, (2S)-
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.20251204 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-121534
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 |
2550906-64-2 / 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]pent-4-ynoic acid
Basic Information
CAS
2550906-64-2
Multi CAS
No
Molecular Formula
C21H19NO4
Molecular Weight
349.400000
Exact Mass
349.131408
SMILES
CN(C(CC#C)C(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H19NO4/c1-3-8-19(20(23)24)22(2)21(25)26-13-18-16-11-6-4-9-14(16)15-10-5-7-12-17(15)18/h1,4-7,9-12,18-19H,8,13H2,2H3,(H,23,24)
InChIKey
WBJWNESNVRWMEI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
97.71
TPSA
66.84
LogP / Solubility
WLOGP
3.34
MLOGP
2.96
XLogP3
3.4
Consensus LogP
3.23
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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