![CAS 1185841-92-2 (2S)-4-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185841-92-2.gif)
CAS RN: 1185841-92-2
(2S)-4-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic 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.20250110 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-018428
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1185841-92-2 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenylmethoxybutanoic acid
N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-O-benzyl-L-homoserine | MFCD09752161 | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-(phenylmethyl)-L-homoserine
Basic Information
CAS
1185841-92-2
Multi CAS
Yes
Molecular Formula
C26H25NO5
Molecular Weight
431.500000
Exact Mass
431.173273
SMILES
C1=CC=C(C=C1)COCC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H25NO5/c28-25(29)24(14-15-31-16-18-8-2-1-3-9-18)27-26(30)32-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2,(H,27,30)(H,28,29)/t24-/m0/s1
InChIKey
IYYLJDCIQNUTTJ-DEOSSOPVSA-N
Synonyms
N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-O-benzyl-L-homoserine
MFCD09752161
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-(phenylmethyl)-L-homoserine
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenylmethoxybutanoic acid
Fmoc-Hse(Bzl)-OH
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
120.34
TPSA
84.86
LogP / Solubility
WLOGP
4.59
MLOGP
4.06
XLogP3
4.4
Consensus LogP
4.35
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.35
Class (SILICOS-IT)
Insoluble
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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