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CAS 152110-17-3 Teuclatriol molecular structure lightbox
CAS RN: 152110-17-3

Teuclatriol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250916 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS152110-17-3
  • Purity/Analytical Methods: >99.0%
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152110-17-3 / (1S,3aR,4R,7S,8R,8aR)-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4,8-triol

Standard CAS: 152110-17-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152110-17-3
Multi CAS
No
Molecular Formula
C15H28O3
Molecular Weight
256.380000
Exact Mass
256.203845
SMILES
CC(C)[C@@H]1CC[C@@]([C@@H]2CC[C@]([C@H]2[C@@H]1O)(C)O)(C)O
InChI
InChI=1S/C15H28O3/c1-9(2)10-5-7-14(3,17)11-6-8-15(4,18)12(11)13(10)16/h9-13,16-18H,5-8H2,1-4H3/t10-,11+,12+,13+,14+,15-/m0/s1
InChIKey
CXQOZINRAFPQEX-QFEQQRJNSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
71.03
TPSA
60.69

LogP / Solubility

WLOGP
1.94
MLOGP
1.72
XLogP3
1.8
Consensus LogP
1.82
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
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)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

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