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CAS 503-06-0 phytomonic acid molecular structure lightbox
CAS RN: 503-06-0

phytomonic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260206 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS503-06-0
  • Purity/Analytical Methods: >99.0%
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503-06-0 / 10-(2-hexylcyclopropyl)decanoic acid

Standard CAS: 503-06-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
503-06-0
Multi CAS
Yes
Molecular Formula
C19H36O2
Molecular Weight
296.500000
Exact Mass
296.271530
InChI
InChI=1S/C19H36O2/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)
InChIKey
IJKRDVKGCQRKBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.95
Rotatable bonds
15
H-bond acceptors
1
H-bond donors
1
Molar refractivity
89.54
TPSA
37.3

LogP / Solubility

WLOGP
6.19
MLOGP
5.46
XLogP3
7.2
Consensus LogP
6.28
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
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)
-0.13

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
3.5

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