[email protected]
CAS 340164-19-4 8-oxobicyclo[3.2.1]octane-3-carboxylic acid molecular structure lightbox
CAS RN: 340164-19-4

8-oxobicyclo[3.2.1]octane-3-carboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250307 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS340164-19-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

340164-19-4 / 8-oxobicyclo[3.2.1]octane-3-carboxylic acid

Standard CAS: 340164-19-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
340164-19-4
Multi CAS
Yes
Molecular Formula
C9H12O3
Molecular Weight
168.190000
Exact Mass
168.078644
InChI
InChI=1S/C9H12O3/c10-8-5-1-2-6(8)4-7(3-5)9(11)12/h5-7H,1-4H2,(H,11,12)
InChIKey
RSGYKULVFGGLSM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.58
TPSA
54.37

LogP / Solubility

WLOGP
1.08
MLOGP
0.94
XLogP3
0.5
Consensus LogP
0.84
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
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)
-2.98

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us