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CAS 1445952-30-6 Nardoeudesmol A molecular structure lightbox
CAS RN: 1445952-30-6

Nardoeudesmol A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250212 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1445952-30-6
  • Purity/Analytical Methods: >99.0%
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1445952-30-6 / (1S,2S,4aS,6R,8aR)-8a-methyl-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,2-diol

Standard CAS: 1445952-30-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1445952-30-6
Multi CAS
No
Molecular Formula
C15H24O2
Molecular Weight
236.350000
Exact Mass
236.177630
SMILES
CC(=C)[C@@H]1CC[C@@]2([C@@H](C1)C(=C)C[C@@H]([C@H]2O)O)C
InChI
InChI=1S/C15H24O2/c1-9(2)11-5-6-15(4)12(8-11)10(3)7-13(16)14(15)17/h11-14,16-17H,1,3,5-8H2,2,4H3/t11-,12+,13+,14-,15-/m1/s1
InChIKey
HTGDCVIGXYGRRV-GZBLMMOJSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.52
TPSA
40.46

LogP / Solubility

WLOGP
2.67
MLOGP
2.35
XLogP3
2.9
Consensus LogP
2.64
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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