[email protected]
CAS 1314378-13-6 Bis-PEG3-PFP ester molecular structure lightbox
CAS RN: 1314378-13-6

Bis-PEG3-PFP ester

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251021 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-038300
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1314378-13-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1314378-13-6 / (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1314378-13-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1314378-13-6
Multi CAS
No
Molecular Formula
C22H16F10O7
Molecular Weight
582.300000
Exact Mass
582.073634
SMILES
C(COCCOCCOCCC(=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/C22H16F10O7/c23-11-13(25)17(29)21(18(30)14(11)26)38-9(33)1-3-35-5-7-37-8-6-36-4-2-10(34)39-22-19(31)15(27)12(24)16(28)20(22)32/h1-8H2
InChIKey
GLOSJLVATRMZRS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
14
H-bond acceptors
7
Molar refractivity
105.43
TPSA
80.29

LogP / Solubility

WLOGP
4.42
MLOGP
3.93
XLogP3
3.6
Consensus LogP
3.98
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us