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CAS 2353409-45-5 BCN-PEG3-VC-PFP ester molecular structure lightbox
CAS RN: 2353409-45-5

BCN-PEG3-VC-PFP ester

Product Availability

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260320 25mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260130 50mg Out of stock Inquiry
  • Product code: SSC-114057
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 2353409-45-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2353409-45-5 / (2,3,4,5,6-pentafluorophenyl) (2S)-2-[[(2S)-2-[3-[2-[2-[2-[[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoate

Standard CAS: 2353409-45-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2353409-45-5
Multi CAS
No
Molecular Formula
C37H50F5N5O10
Molecular Weight
819.800000
Exact Mass
819.347784
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)CCOCCOCCOCCNC(=O)OCC2[C@H]3[C@@H]2CCC#CCC3
InChI
InChI=1S/C37H50F5N5O10/c1-21(2)32(34(49)46-25(10-7-12-44-36(43)51)35(50)57-33-30(41)28(39)27(38)29(40)31(33)42)47-26(48)11-14-53-16-18-55-19-17-54-15-13-45-37(52)56-20-24-22-8-5-3-4-6-9-23(22)24/h21-25,32H,5-20H2,1-2H3,(H,45,52)(H,46,49)(H,47,48)(H3,43,44,51)/t22-,23+,24?,25-,32-/m0/s1
InChIKey
ODFSIYMVJDIAIS-COWKONOXSA-N

Computed Properties

Structural Parameters

Heavy atom count
57
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
24
H-bond acceptors
10
H-bond donors
5
Molar refractivity
190.53
TPSA
205.64

LogP / Solubility

WLOGP
2.97
MLOGP
2.69
XLogP3
3.3
Consensus LogP
2.99
Log S (ESOL)
-5.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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