CAS RN: 161220-53-7
FMOC-ALA-ALA-PRO-OH
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250613 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251013 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250518 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260407 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250320 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS161220-53-7
- Purity/Analytical Methods: >99.0%
161220-53-7 / (2S)-1-[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Basic Information
CAS
161220-53-7
Multi CAS
No
Molecular Formula
C26H29N3O6
Molecular Weight
479.500000
Exact Mass
479.205636
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H29N3O6/c1-15(23(30)27-16(2)24(31)29-13-7-12-22(29)25(32)33)28-26(34)35-14-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,15-16,21-22H,7,12-14H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,16-,22-/m0/s1
InChIKey
BEUOECKRMVYVFQ-WCJKSRRJSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
127.64
TPSA
125.04
LogP / Solubility
WLOGP
2.49
MLOGP
2.23
XLogP3
2.9
Consensus LogP
2.54
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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