[email protected]
CAS 2055013-55-1 Ald–Ph-PEG6-acid molecular structure lightbox
CAS RN: 2055013-55-1

Ald–Ph-PEG6-acid

  • Product code: SSC-096636
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
  • 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 2055013-55-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2055013-55-1 / 3-[2-[2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 2055013-55-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055013-55-1
Multi CAS
No
Molecular Formula
C23H35NO10
Molecular Weight
485.500000
Exact Mass
485.226096
SMILES
C1=CC(=CC=C1C=O)C(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C23H35NO10/c25-19-20-1-3-21(4-2-20)23(28)24-6-8-30-10-12-32-14-16-34-18-17-33-15-13-31-11-9-29-7-5-22(26)27/h1-4,19H,5-18H2,(H,24,28)(H,26,27)
InChIKey
RNJVHKOJSNIKOU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
23
H-bond acceptors
9
H-bond donors
2
Molar refractivity
121.33
TPSA
138.85

LogP / Solubility

WLOGP
0.8
MLOGP
0.74
XLogP3
-0.7
Consensus LogP
0.28
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.24
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)
-5.11

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

Customers Also Viewed

Get In Touch

Contact Us