[email protected]
CAS 133369-42-3 4-Hydroxy-11,12,13-trinor-5-eudesMen-7-one molecular structure lightbox
CAS RN: 133369-42-3

4-Hydroxy-11,12,13-trinor-5-eudesMen-7-one

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251210 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS133369-42-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

133369-42-3 / (4aS,8R)-8-hydroxy-4a,8-dimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one

Standard CAS: 133369-42-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133369-42-3
Multi CAS
No
Molecular Formula
C12H18O2
Molecular Weight
194.270000
Exact Mass
194.130680
SMILES
C[C@@]12CCC[C@@](C1=CC(=O)CC2)(C)O
InChI
InChI=1S/C12H18O2/c1-11-5-3-6-12(2,14)10(11)8-9(13)4-7-11/h8,14H,3-7H2,1-2H3/t11-,12+/m0/s1
InChIKey
NGTFVDVHOJMAJY-NWDGAFQWSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.91
TPSA
37.3

LogP / Solubility

WLOGP
2.22
MLOGP
1.95
XLogP3
1.2
Consensus LogP
1.79
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately 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)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us