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CAS 56875-67-3 METHYL CIS-7-HEXADECENOATE, 5% SOLUTION IN ETHANOL molecular structure lightbox
CAS RN: 56875-67-3

METHYL CIS-7-HEXADECENOATE, 5% SOLUTION IN ETHANOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250611 5mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS56875-67-3
  • Purity/Analytical Methods: >99.0%
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56875-67-3 / methyl hexadec-7-enoate

Standard CAS: 56875-67-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56875-67-3
Multi CAS
Yes
Molecular Formula
C17H32O2
Molecular Weight
268.400000
Exact Mass
268.240230
InChI
InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h10-11H,3-9,12-16H2,1-2H3/b11-10-
InChIKey
FXCDESKKWMGGON-KHPPLWFESA-N

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

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