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CAS 1807505-32-3 Azido-PEG1-PFP ester molecular structure lightbox
CAS RN: 1807505-32-3

Azido-PEG1-PFP ester

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251230 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
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Batchno.20250412 100mg In stock Inquiry
Batchno.20260518 250mg In stock Inquiry
  • Product code: starshine_CAS1807505-32-3
  • Purity/Analytical Methods: >99.0%
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1807505-32-3 / (2,3,4,5,6-pentafluorophenyl) 3-(2-azidoethoxy)propanoate

Standard CAS: 1807505-32-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1807505-32-3
Multi CAS
No
Molecular Formula
C11H8F5N3O3
Molecular Weight
325.190000
Exact Mass
325.048582
SMILES
C(COCCN=[N+]=[N-])C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C11H8F5N3O3/c12-6-7(13)9(15)11(10(16)8(6)14)22-5(20)1-3-21-4-2-18-19-17/h1-4H2
InChIKey
MXTGUBUPWMDFOW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
61.32
TPSA
84.29

LogP / Solubility

WLOGP
3
MLOGP
2.66
XLogP3
2.9
Consensus LogP
2.85
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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