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CAS 15790-91-7 (Z)-2-decanoic acid molecular structure lightbox
CAS RN: 15790-91-7

(Z)-2-decanoic acid

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250726 5mg In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: starshine_CAS15790-91-7
  • Purity/Analytical Methods: >99.0%
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15790-91-7 / (Z)-dec-2-enoic acid

Standard CAS: 15790-91-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15790-91-7
Multi CAS
No
Molecular Formula
C10H18O2
Molecular Weight
170.250000
Exact Mass
170.130680
SMILES
CCCCCCC/C=C\C(=O)O
InChI
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8-
InChIKey
WXBXVVIUZANZAU-HJWRWDBZSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.7
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.15
TPSA
37.3

LogP / Solubility

WLOGP
2.99
MLOGP
2.63
XLogP3
3.8
Consensus LogP
3.14
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
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)
-1.64

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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