CAS RN: 13099-34-8

17-HYDROXYHEPTADECANOIC ACID

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250806 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250917 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260226 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
Batchno.20250509 25g In stock Shanghai Inquiry
Batchno.20251101 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS13099-34-8
  • Purity/Analytical Methods: >99.0%
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13099-34-8 / 17-hydroxyheptadecanoic acid

Standard CAS: 13099-34-8 Multi CAS: No

Basic Information

CAS
13099-34-8
Multi CAS
No
Molecular Formula
C17H34O3
Molecular Weight
286.400000
Exact Mass
286.250795
SMILES
C(CCCCCCCCO)CCCCCCCC(=O)O
InChI
InChI=1S/C17H34O3/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20/h18H,1-16H2,(H,19,20)
InChIKey
JHRQMZPLCYCFPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.94
Rotatable bonds
16
H-bond acceptors
2
H-bond donors
2
Molar refractivity
83.98
TPSA
57.53

LogP / Solubility

WLOGP
4.91
MLOGP
4.34
XLogP3
5.3
Consensus LogP
4.85
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-0.98

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
1.5

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