![CAS 119062-05-4 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-aspartic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f0452-jpgcontextbwfzdgvyfhjvb3r8mziwmzj8aw1hz2uvanblz3xozmyvaguzlzg5mza2nta5ndc2mtqvrja0ntiuanbnfdjimzyyzgexzgu3m2u4nziyytg4nme2zdu4zduynzmynjyzmzmznwizn2ywmji4zweyytu1njk2njnhogi0mjq.jpeg)
CAS RN: 119062-05-4
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-aspartic Acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260420 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: SSC-019514
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: 100g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 100g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
119062-05-4 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanedioic acid
N-[(9H-fluoren-9-ylmethoxy)carbonyl]aspartic acid | 2-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)BUTANEDIOIC ACID | N-((9H-Fluoren-9-ylmethoxy)carbonyl)aspartic acid
Basic Information
CAS
119062-05-4
Multi CAS
Yes
Molecular Formula
C19H17NO6
Molecular Weight
355.300000
Exact Mass
355.105587
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC(=O)O)C(=O)O
InChI
InChI=1S/C19H17NO6/c21-17(22)9-16(18(23)24)20-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,20,25)(H,21,22)(H,23,24)/t16-/m0/s1
InChIKey
KSDTXRUIZMTBNV-INIZCTEOSA-N
Synonyms
N-[(9H-fluoren-9-ylmethoxy)carbonyl]aspartic acid
2-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)BUTANEDIOIC ACID
N-((9H-Fluoren-9-ylmethoxy)carbonyl)aspartic acid
2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanedioic acid
RefChem:446660
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
91.88
TPSA
112.93
LogP / Solubility
WLOGP
2.45
MLOGP
2.18
XLogP3
2.2
Consensus LogP
2.28
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
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
No
Log Kp (skin permeation)
-3.15
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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