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CAS 109425-47-0 (9H-Fluoren-9-yl)MethOxy]Carbonyl Ile-Pro-OH molecular structure lightbox
CAS RN: 109425-47-0

(9H-Fluoren-9-yl)MethOxy]Carbonyl Ile-Pro-OH

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250430 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS109425-47-0
  • Purity/Analytical Methods: >99.0%
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109425-47-0 / (2S)-1-[(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]pyrrolidine-2-carboxylic acid

Fmoc-Ile-Pro-OH | Fmoc-L-Ile-L-Pro-OH | N-alpha-(9-Fluorenylmethyloxycarbonyl)-L-isoleucinyl-L-proline

Standard CAS: 109425-47-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
109425-47-0
Multi CAS
Yes
Molecular Formula
C26H30N2O5
Molecular Weight
450.500000
Exact Mass
450.215472
SMILES
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H30N2O5/c1-3-16(2)23(24(29)28-14-8-13-22(28)25(30)31)27-26(32)33-15-21-19-11-6-4-9-17(19)18-10-5-7-12-20(18)21/h4-7,9-12,16,21-23H,3,8,13-15H2,1-2H3,(H,27,32)(H,30,31)/t16-,22-,23-/m0/s1
InChIKey
MLWNAAGBZTXNOG-GMWOSMDTSA-N
Synonyms
Fmoc-Ile-Pro-OH Fmoc-L-Ile-L-Pro-OH N-alpha-(9-Fluorenylmethyloxycarbonyl)-L-isoleucinyl-L-proline MFCD00237659 (2s)-1-[(2s,3s)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanoyl]pyrrolidine-2-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
123.82
TPSA
95.94

LogP / Solubility

WLOGP
4.02
MLOGP
3.56
XLogP3
4.4
Consensus LogP
3.99
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.76
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)
-2.62

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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