![CAS 2098497-06-2 L-Alanine, 3-amino-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2098497-06-2.png)
CAS RN: 2098497-06-2
L-Alanine, 3-amino-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
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.20250414 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-099761
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 |
2098497-06-2 / tert-butyl (2S)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;hydrochloride
Basic Information
CAS
2098497-06-2
Multi CAS
No
Molecular Formula
C22H27ClN2O4
Molecular Weight
418.900000
Exact Mass
418.165935
SMILES
CC(C)(C)OC(=O)[C@H](CN)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.Cl
InChI
InChI=1S/C22H26N2O4.ClH/c1-22(2,3)28-20(25)19(12-23)24-21(26)27-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18;/h4-11,18-19H,12-13,23H2,1-3H3,(H,24,26);1H/t19-;/m0./s1
InChIKey
HBBNGRFPZAWXOM-FYZYNONXSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
114.14
TPSA
90.65
LogP / Solubility
WLOGP
3.62
MLOGP
3.21
XLogP3
3.62
Consensus LogP
3.48
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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