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CAS 2353409-77-3 Bis-(m-PEG8-amido)-hexanoic acid molecular structure lightbox
CAS RN: 2353409-77-3

Bis-(m-PEG8-amido)-hexanoic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250515 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2353409-77-3
  • Purity/Analytical Methods: >99.0%
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2353409-77-3 / (2S)-2,6-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]hexanoic acid

Standard CAS: 2353409-77-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2353409-77-3
Multi CAS
No
Molecular Formula
C42H82N2O22
Molecular Weight
967.100000
Exact Mass
966.535922
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOC
InChI
InChI=1S/C42H82N2O22/c1-49-7-9-51-11-13-53-15-17-55-19-21-57-23-25-59-27-29-61-31-33-63-35-37-65-41(47)43-6-4-3-5-39(40(45)46)44-42(48)66-38-36-64-34-32-62-30-28-60-26-24-58-22-20-56-18-16-54-14-12-52-10-8-50-2/h39H,3-38H2,1-2H3,(H,43,47)(H,44,48)(H,45,46)/t39-/m0/s1
InChIKey
ZWXXNJUHFRYALT-KDXMTYKHSA-N

Computed Properties

Structural Parameters

Heavy atom count
66
Fraction Csp3
0.93
Rotatable bonds
55
H-bond acceptors
21
H-bond donors
3
Molar refractivity
234.33
TPSA
261.64

LogP / Solubility

WLOGP
0.59
MLOGP
0.61
XLogP3
-2
Consensus LogP
-0.27
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-7.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.03
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.2

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
4.5

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