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CAS 16607-62-8 1-Propanol, 3,3′,3”-[1,2,3-propanetriyltris(oxy)]tris- molecular structure lightbox
CAS RN: 16607-62-8

1-Propanol, 3,3′,3”-[1,2,3-propanetriyltris(oxy)]tris-

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250914 100mg In stock Shanghai Inquiry
Batchno.20251024 100mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20250802 1g In stock Shanghai Inquiry
Batchno.20260502 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS16607-62-8
  • Purity/Analytical Methods: >99.0%
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16607-62-8 / 3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol

Standard CAS: 16607-62-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16607-62-8
Multi CAS
No
Molecular Formula
C12H26O6
Molecular Weight
266.330000
Exact Mass
266.172939
SMILES
C(CO)COCC(COCCCO)OCCCO
InChI
InChI=1S/C12H26O6/c13-4-1-7-16-10-12(18-9-3-6-15)11-17-8-2-5-14/h12-15H,1-11H2
InChIKey
DMABVNLMIWMRNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
14
H-bond acceptors
6
H-bond donors
3
Molar refractivity
66.49
TPSA
88.38

LogP / Solubility

WLOGP
-0.45
MLOGP
-0.39
XLogP3
-1.1
Consensus LogP
-0.65
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble

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)
-4.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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