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CAS 872340-65-3 AMINO-PEG12-T-BUTYL ESTER molecular structure lightbox
CAS RN: 872340-65-3

AMINO-PEG12-T-BUTYL ESTER

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251204 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS872340-65-3
  • Purity/Analytical Methods: >99.0%
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872340-65-3 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 872340-65-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
872340-65-3
Multi CAS
Yes
Molecular Formula
C55H111NO26
Molecular Weight
1202.500000
Exact Mass
1201.739433
InChI
InChI=1S/C31H63NO14/c1-31(2,3)46-30(33)4-6-34-8-10-36-12-14-38-16-18-40-20-22-42-24-26-44-28-29-45-27-25-43-23-21-41-19-17-39-15-13-37-11-9-35-7-5-32/h4-29,32H2,1-3H3
InChIKey
XRYCYKGEIYZQGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
82
Fraction Csp3
0.98
Rotatable bonds
74
H-bond acceptors
27
H-bond donors
1
Molar refractivity
299.17
TPSA
273.84

LogP / Solubility

WLOGP
1.08
MLOGP
1.07
XLogP3
-3.4
Consensus LogP
-0.42
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-10.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.25
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-9.29

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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