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CAS 118020-79-4 DELTA 7 CIS NONADECENOIC ACID molecular structure lightbox
CAS RN: 118020-79-4

DELTA 7 CIS NONADECENOIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250503 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS118020-79-4
  • Purity/Analytical Methods: >99.0%
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118020-79-4 / (Z)-nonadec-7-enoic acid

(E)-nonadec-7-enoic acid | 7-Nonadecenoic acid | 7E-nonadecenoic acid

Standard CAS: 118020-79-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
118020-79-4
Multi CAS
Yes
Molecular Formula
C19H36O2
Molecular Weight
296.500000
Exact Mass
296.271530
SMILES
CCCCCCCCCCC/C=C\CCCCCC(=O)O
InChI
InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h12-13H,2-11,14-18H2,1H3,(H,20,21)/b13-12-
InChIKey
MBSJMRUSWQBXNI-SEYXRHQNSA-N
Synonyms
(E)-nonadec-7-enoic acid 7-Nonadecenoic acid 7E-nonadecenoic acid 7(E)-Nonadecenoic acid (7E)-7-Nonadecenoic acid

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.84
Rotatable bonds
16
H-bond acceptors
1
H-bond donors
1
Molar refractivity
91.7
TPSA
37.3

LogP / Solubility

WLOGP
6.5
MLOGP
5.73
XLogP3
7.1
Consensus LogP
6.44
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.9
Class (SILICOS-IT)
Insoluble

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)
0.09

Drug-likeness / Medicinal Chemistry

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

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