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CAS 1167572-53-3 1167572-53-3 molecular structure lightbox
CAS RN: 1167572-53-3

1167572-53-3

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260613 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-016691
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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 1167572-53-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1167572-53-3 / 3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol

HO-PPG5-OH | 4,8,12,16-Tetraoxanonadecane-1,19-diol | 3-[3-[3-[3-(3-Hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol

Standard CAS: 1167572-53-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1167572-53-3
Multi CAS
Yes
Molecular Formula
C15H32O6
Molecular Weight
308.410000
Exact Mass
308.219889
SMILES
C(CO)COCCCOCCCOCCCOCCCO
InChI
InChI=1S/C15H32O6/c16-6-1-8-18-10-3-12-20-14-5-15-21-13-4-11-19-9-2-7-17/h16-17H,1-15H2
InChIKey
QCNODSMOZZBAFI-UHFFFAOYSA-N
Synonyms
HO-PPG5-OH 4,8,12,16-Tetraoxanonadecane-1,19-diol 3-[3-[3-[3-(3-Hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol MFCD32898924 SCHEMBL23528602

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
18
H-bond acceptors
6
H-bond donors
2
Molar refractivity
80.53
TPSA
77.38

LogP / Solubility

WLOGP
0.99
MLOGP
0.88
XLogP3
0.1
Consensus LogP
0.66
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.9

Drug-likeness / Medicinal Chemistry

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

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