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CAS 473451-72-8 Carpinontriol A molecular structure lightbox
CAS RN: 473451-72-8

Carpinontriol A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250113 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS473451-72-8
  • Purity/Analytical Methods: >99.0%
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473451-72-8 / (8R,11R,12S)-3,8,11,12,17-pentahydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one

Standard CAS: 473451-72-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
473451-72-8
Multi CAS
No
Molecular Formula
C19H20O6
Molecular Weight
344.400000
Exact Mass
344.125988
InChI
InChI=1S/C19H20O6/c20-14-3-1-10-5-12(14)13-6-11(2-4-15(13)21)8-17(23)19(25)9-18(24)16(22)7-10/h1-6,16-18,20-24H,7-9H2/t16-,17+,18+/m0/s1
InChIKey
QJFDNLWGPQQYCU-RCCFBDPRSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.32
H-bond acceptors
6
H-bond donors
5
Molar refractivity
90.26
TPSA
118.22

LogP / Solubility

WLOGP
0.91
MLOGP
0.81
XLogP3
1
Consensus LogP
0.91
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble

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)
-4.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
9.5

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