![CAS 1448903-45-4 (2S)-5-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-5-oxopentanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1448903-45-4.gif)
CAS RN: 1448903-45-4
(2S)-5-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-5-oxopentanoic acid
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260412 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1448903-45-4
- Purity/Analytical Methods: >99.0%
1448903-45-4 / (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-oxo-5-phenylmethoxypentanoic acid
Basic Information
CAS
1448903-45-4
Multi CAS
No
Molecular Formula
C28H27NO6
Molecular Weight
473.500000
Exact Mass
473.183838
SMILES
CN([C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C28H27NO6/c1-29(25(27(31)32)15-16-26(30)34-17-19-9-3-2-4-10-19)28(33)35-18-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24/h2-14,24-25H,15-18H2,1H3,(H,31,32)/t25-/m0/s1
InChIKey
YZKGPTYORSFXQK-VWLOTQADSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
1
Molar refractivity
129.73
TPSA
93.14
LogP / Solubility
WLOGP
4.84
MLOGP
4.3
XLogP3
4.5
Consensus LogP
4.55
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.84
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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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