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CAS 111047-30-4 Ginkgolic Acid C17:1 molecular structure lightbox
CAS RN: 111047-30-4

Ginkgolic Acid C17:1

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6 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250901 10mg In stock Shanghai Inquiry
Batchno.20250625 25mg In stock Shanghai Inquiry
Batchno.20251004 50mg Out of stock Inquiry
Batchno.20260105 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250501 5mg In stock Shanghai, Hebei Inquiry
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Batchno.20250420 5mg In stock Inquiry
  • Product code: starshine_CAS111047-30-4
  • Purity/Analytical Methods: >99.0%
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111047-30-4 / 2-[(Z)-heptadec-10-enyl]-6-hydroxybenzoic acid

orb1300169

Standard CAS: 111047-30-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
111047-30-4
Multi CAS
Yes
Molecular Formula
C24H38O3
Molecular Weight
374.600000
Exact Mass
374.282095
SMILES
CCCCCC/C=C\CCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
InChI
InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-
InChIKey
MBYNDKVOZOAOIS-FPLPWBNLSA-N
Synonyms
orb1300169

Physical Properties

Melting Point
45 - 46 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
16
H-bond acceptors
2
H-bond donors
2
Molar refractivity
113.61
TPSA
57.53

LogP / Solubility

WLOGP
7.28
MLOGP
6.43
XLogP3
9.6
Consensus LogP
7.77
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.16

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (95.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (95.1%): 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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