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CAS 55297-87-5 1,9-HEPTADECADIENE-4,6-DIYNE-3,8-DIOL molecular structure lightbox
CAS RN: 55297-87-5

1,9-HEPTADECADIENE-4,6-DIYNE-3,8-DIOL

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250802 100mg In stock Shanghai Inquiry
Batchno.20260325 10mg In stock Shanghai Inquiry
Batchno.20250906 1mg In stock Shanghai Inquiry
Batchno.20260402 25mg In stock Shanghai Inquiry
Batchno.20250528 50mg In stock Shanghai Inquiry
Batchno.20260513 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS55297-87-5
  • Purity/Analytical Methods: >99.0%
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55297-87-5 / heptadeca-1,9-dien-4,6-diyne-3,8-diol

Standard CAS: 55297-87-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55297-87-5
Multi CAS
Yes
Molecular Formula
C17H24O2
Molecular Weight
260.400000
Exact Mass
260.177630
InChI
InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1
InChIKey
QWCNQXNAFCBLLV-YWALDVPYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.53
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
80.28
TPSA
40.46

LogP / Solubility

WLOGP
2.82
MLOGP
2.49
XLogP3
4.4
Consensus LogP
3.24
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.65
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)
-2.31

Drug-likeness / Medicinal Chemistry

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

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