[email protected]
CAS 207446-92-2 Arteannuin N molecular structure lightbox
CAS RN: 207446-92-2

Arteannuin N

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250627 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS207446-92-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

207446-92-2 / (2R)-2-[(1R,4R,4aS,8aS)-4,7-dimethyl-8-oxo-2,3,4,4a,5,8a-hexahydro-1H-naphthalen-1-yl]propanoic acid

Standard CAS: 207446-92-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207446-92-2
Multi CAS
No
Molecular Formula
C15H22O3
Molecular Weight
250.330000
Exact Mass
250.156895
SMILES
C[C@@H]1CC[C@H]([C@@H]2[C@H]1CC=C(C2=O)C)[C@@H](C)C(=O)O
InChI
InChI=1S/C15H22O3/c1-8-4-7-12(10(3)15(17)18)13-11(8)6-5-9(2)14(13)16/h5,8,10-13H,4,6-7H2,1-3H3,(H,17,18)/t8-,10-,11+,12+,13+/m1/s1
InChIKey
IYDIAJDXEYNLGO-WSLQDRLSSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.05
TPSA
54.37

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
3.2
Consensus LogP
2.89
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-2.18

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us