CAS RN: 10030-73-6

PALMITELAIDIC ACID

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7 package records7 with current stock1 grade group
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Batchno.20251119 100mg In stock Shanghai Inquiry
Batchno.20260210 10mg In stock Shanghai Inquiry
Batchno.20260323 1g In stock Shanghai Inquiry
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  • Product code: starshine_CAS10030-73-6
  • Purity/Analytical Methods: >99.0%
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10030-73-6 / (E)-hexadec-9-enoic acid

9-HEXADECENOIC ACID | DTXSID5041564 | RefChem:1074989

Standard CAS: 10030-73-6 Multi CAS: Yes

Basic Information

CAS
10030-73-6
Multi CAS
Yes
Molecular Formula
C16H30O2
Molecular Weight
254.410000
Exact Mass
254.224580
SMILES
CCCCCC/C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+
InChIKey
SECPZKHBENQXJG-BQYQJAHWSA-N
Synonyms
9-HEXADECENOIC ACID DTXSID5041564 RefChem:1074989 DTXCID3021564 606-666-4

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.81
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
77.85
TPSA
37.3

LogP / Solubility

WLOGP
5.33
MLOGP
4.7
XLogP3
6.4
Consensus LogP
5.48
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.3
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)
-0.49

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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