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CAS 141282-29-3 BocNH-PEG7-CH2COOH molecular structure lightbox
CAS RN: 141282-29-3

BocNH-PEG7-CH2COOH

  • Product code: SSC-051652
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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: ＞97%
  • 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 141282-29-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

141282-29-3 / 2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

Standard CAS: 141282-29-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
141282-29-3
Multi CAS
No
Molecular Formula
C21H41NO11
Molecular Weight
483.500000
Exact Mass
483.267961
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C21H41NO11/c1-21(2,3)33-20(25)22-4-5-26-6-7-27-8-9-28-10-11-29-12-13-30-14-15-31-16-17-32-18-19(23)24/h4-18H2,1-3H3,(H,22,25)(H,23,24)
InChIKey
JZVPPASVRSYVSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.9
Rotatable bonds
23
H-bond acceptors
10
H-bond donors
2
Molar refractivity
117.61
TPSA
140.24

LogP / Solubility

WLOGP
0.71
MLOGP
0.66
XLogP3
-0.5
Consensus LogP
0.29
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.16

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
2.5

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