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CAS 1310327-18-4 Cbz-N-amido-PEG3-acid molecular structure lightbox
CAS RN: 1310327-18-4

Cbz-N-amido-PEG3-acid

  • Product code: SSC-037648
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1310327-18-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1310327-18-4 / 3-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 1310327-18-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1310327-18-4
Multi CAS
No
Molecular Formula
C17H25NO7
Molecular Weight
355.400000
Exact Mass
355.163102
SMILES
C1=CC=C(C=C1)COC(=O)NCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C17H25NO7/c19-16(20)6-8-22-10-12-24-13-11-23-9-7-18-17(21)25-14-15-4-2-1-3-5-15/h1-5H,6-14H2,(H,18,21)(H,19,20)
InChIKey
SBHUTZVKPJPFBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
14
H-bond acceptors
6
H-bond donors
2
Molar refractivity
89.34
TPSA
103.32

LogP / Solubility

WLOGP
1.44
MLOGP
1.28
XLogP3
0.5
Consensus LogP
1.07
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-3.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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