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CAS 1334170-00-1 Bis-PEG9-PFP ester molecular structure lightbox
CAS RN: 1334170-00-1

Bis-PEG9-PFP ester

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260306 100mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250424 100mg In stock Inquiry
Batchno.20250415 25mg In stock Inquiry
  • Product code: starshine_CAS1334170-00-1
  • Purity/Analytical Methods: >99.0%
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1334170-00-1 / (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1334170-00-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1334170-00-1
Multi CAS
No
Molecular Formula
C34H40F10O13
Molecular Weight
846.700000
Exact Mass
846.230923
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C34H40F10O13/c35-23-25(37)29(41)33(30(42)26(23)38)56-21(45)1-3-47-5-7-49-9-11-51-13-15-53-17-19-55-20-18-54-16-14-52-12-10-50-8-6-48-4-2-22(46)57-34-31(43)27(39)24(36)28(40)32(34)44/h1-20H2
InChIKey
OFZQOXAQZALFLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
57
Aromatic heavy atom count
12
Fraction Csp3
0.59
Rotatable bonds
32
H-bond acceptors
13
Molar refractivity
170.34
TPSA
135.67

LogP / Solubility

WLOGP
4.52
MLOGP
4.05
XLogP3
2.7
Consensus LogP
3.76
Log S (ESOL)
-5.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-9.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.75
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.68

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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