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CAS 1120-25-8 Methyl cis-9-Hexadecenoate molecular structure lightbox
CAS RN: 1120-25-8

Methyl cis-9-Hexadecenoate

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7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250517 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250417 100mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20251028 1g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250420 250mg In stock Shanghai Inquiry
Batchno.20250625 25mg In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batchno.20260213 5g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251213 100mg In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: ICTP1958
  • Purity/Analytical Methods: >95.0%(GC)
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1120-25-8 / methyl (Z)-hexadec-9-enoate

methyl 9-hexadecenoate | DTXSID201347762 | RefChem:1089529

Standard CAS: 1120-25-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1120-25-8
Multi CAS
Yes
Molecular Formula
C17H32O2
Molecular Weight
268.400000
Exact Mass
268.240230
SMILES
CCCCCC/C=C\CCCCCCCC(=O)OC
InChI
InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8-
InChIKey
IZFGRAGOVZCUFB-HJWRWDBZSA-N
Synonyms
methyl 9-hexadecenoate DTXSID201347762 RefChem:1089529 DTXCID801333074 methyl hexadec-9-enoate

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.82
Rotatable bonds
13
H-bond acceptors
2
Molar refractivity
82.23
TPSA
26.3

LogP / Solubility

WLOGP
5.42
MLOGP
4.77
XLogP3
6.5
Consensus LogP
5.56
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.46
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)
-0.51

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

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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