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CAS 20261-38-5 Ginkgolic Acid molecular structure lightbox
CAS RN: 20261-38-5

Ginkgolic Acid

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260127 100mg In stock Shanghai Inquiry
Batchno.20260429 10mg In stock Shanghai Inquiry
Batchno.20250729 250mg In stock Shanghai Inquiry
Batchno.20250628 25mg In stock Shanghai Inquiry
Batchno.20260206 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260321 10mg In stock Shanghai Inquiry
  • Product code: starshine_CAS20261-38-5
  • Purity/Analytical Methods: >99.0%
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20261-38-5 / 2-hydroxy-6-tridecylbenzoic acid

Standard CAS: 20261-38-5 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
20261-38-5
Multi CAS
No
Molecular Formula
C20H32O3
Molecular Weight
320.500000
Exact Mass
320.235145
SMILES
CCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h13,15-16,21H,2-12,14H2,1H3,(H,22,23)
InChIKey
VEPUCZUJLKAVNM-UHFFFAOYSA-N

Physical Properties

Melting Point
85 - 86 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
13
H-bond acceptors
2
H-bond donors
2
Molar refractivity
95.23
TPSA
57.53

LogP / Solubility

WLOGP
5.94
MLOGP
5.25
XLogP3
8.4
Consensus LogP
6.53
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.24
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
No
Log Kp (skin permeation)
-0.45

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%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (95%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (95%): 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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