CAS RN: 201048-68-2
Z-ORN(FMOC)-OH
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250214 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS201048-68-2
- Purity/Analytical Methods: >99.0%
201048-68-2 / (2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
Basic Information
CAS
201048-68-2
Multi CAS
No
Molecular Formula
C28H28N2O6
Molecular Weight
488.500000
Exact Mass
488.194737
SMILES
C1=CC=C(C=C1)COC(=O)N[C@@H](CCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C28H28N2O6/c31-26(32)25(30-28(34)35-17-19-9-2-1-3-10-19)15-8-16-29-27(33)36-18-24-22-13-6-4-11-20(22)21-12-5-7-14-23(21)24/h1-7,9-14,24-25H,8,15-18H2,(H,29,33)(H,30,34)(H,31,32)/t25-/m0/s1
InChIKey
JEFQVIBFPUQDGA-VWLOTQADSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
3
Molar refractivity
133.49
TPSA
113.96
LogP / Solubility
WLOGP
4.68
MLOGP
4.16
XLogP3
4.6
Consensus LogP
4.48
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.92
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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