CAS RN: 1624272-55-4
(S)-Allyl 2-((((9H-fluoren-9-yl)Methoxy)carbonyl)aMino)-5-aMinopentanoate hydrochloride
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.20260316 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1624272-55-4
- Purity/Analytical Methods: >99.0%
1624272-55-4 / prop-2-enyl (2S)-5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate;hydrochloride
Basic Information
CAS
1624272-55-4
Multi CAS
No
Molecular Formula
C23H27ClN2O4
Molecular Weight
430.900000
Exact Mass
430.165935
SMILES
C=CCOC(=O)[C@H](CCCN)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.Cl
InChI
InChI=1S/C23H26N2O4.ClH/c1-2-14-28-22(26)21(12-7-13-24)25-23(27)29-15-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20;/h2-6,8-11,20-21H,1,7,12-15,24H2,(H,25,27);1H/t21-;/m0./s1
InChIKey
SYPSKTFTZYWGRS-BOXHHOBZSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
118.69
TPSA
90.65
LogP / Solubility
WLOGP
3.78
MLOGP
3.36
XLogP3
3.78
Consensus LogP
3.64
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.68
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)
-2.66
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
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