CAS RN: 203854-59-5
(S)-2-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)-3-methylbutanoic 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 | Inquiry |
|---|---|---|---|---|
| Batchno.20250405 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-095941
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 | Hong Kong | Inquiry |
203854-59-5 / (2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbutanoic acid
Basic Information
CAS
203854-59-5
Multi CAS
No
Molecular Formula
C21H23NO4
Molecular Weight
353.400000
Exact Mass
353.162708
SMILES
CC(C)[C@@H](CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
InChI
InChI=1S/C21H23NO4/c1-13(2)18(20(23)24)11-22-21(25)26-12-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t18-/m1/s1
InChIKey
WVHQNPPGMKCPTP-GOSISDBHSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
99.04
TPSA
75.63
LogP / Solubility
WLOGP
3.88
MLOGP
3.43
XLogP3
3.9
Consensus LogP
3.74
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2,3-dichlorophenyl)propanoic acid
- CAS RN: 501015-35-6
- Product Code: SSC-156512
-
(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid
- CAS RN: 501015-34-5
- Product Code: SSC-156511
-
Fmoc-(S)-3-Amino-3-(4-nitrophenyl)-propionic acid
- CAS RN: 501015-25-4
- Product Code: LINF906927
-
(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(2,4-dichlorophenyl)butanoic acid
- CAS RN: 270063-49-5
- Product Code: SSC-125558
-
-
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2,4-difluorophenyl)propanoic acid
- CAS RN: 1032337-49-7
- Product Code: SSC-004659
