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CAS 6750-30-7 ARNIDIOL, Analytical reference molecular structure lightbox
CAS RN: 6750-30-7

ARNIDIOL, Analytical reference

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250811 20mg Out of stock 5-7 business days Inquiry
  • Product code: LINA889759
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6750-30-7 / (3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,8-diol

Standard CAS: 6750-30-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6750-30-7
Multi CAS
Yes
Molecular Formula
C30H50O2
Molecular Weight
442.700000
Exact Mass
442.381081
InChI
InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20-,21+,22-,23+,24+,25-,27+,28-,29-,30-/m1/s1
InChIKey
IOPDFSGGBHSXSV-IMLFCHQCSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.93
H-bond acceptors
2
H-bond donors
2
Molar refractivity
132.04
TPSA
40.46

LogP / Solubility

WLOGP
7
MLOGP
6.19
XLogP3
7.6
Consensus LogP
6.93
Log S (ESOL)
-6.99
Class (ESOL)
Insoluble
Log S (Ali)
-8.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.34
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)
-0.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9

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