[email protected]
CAS 1098432-95-1 8-Oxabicyclo[3.2.1]octane-3-acetic acid molecular structure lightbox
CAS RN: 1098432-95-1

8-Oxabicyclo[3.2.1]octane-3-acetic 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.20260330 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-011153
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1098432-95-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1098432-95-1 / 2-(8-oxabicyclo[3.2.1]octan-3-yl)acetic acid

2-(8-oxabicyclo[3.2.1]octan-3-yl)acetic acid | 2-{8-oxabicyclo[3.2.1]octan-3-yl}acetic acid | MFCD27988076

Standard CAS: 1098432-95-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1098432-95-1
Multi CAS
No
Molecular Formula
C9H14O3
Molecular Weight
170.210000
Exact Mass
170.094294
SMILES
C1CC2CC(CC1O2)CC(=O)O
InChI
InChI=1S/C9H14O3/c10-9(11)5-6-3-7-1-2-8(4-6)12-7/h6-8H,1-5H2,(H,10,11)
InChIKey
RQDYJUMHTIAJPD-UHFFFAOYSA-N
Synonyms
2-(8-oxabicyclo[3.2.1]octan-3-yl)acetic acid 2-{8-oxabicyclo[3.2.1]octan-3-yl}acetic acid MFCD27988076 8-Oxabicyclo[3.2.1]octane-3-acetic acid exo-8-oxabicyclo[3.2.1]octane-3-aceticacid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.87
TPSA
46.53

LogP / Solubility

WLOGP
1.42
MLOGP
1.24
XLogP3
0.9
Consensus LogP
1.19
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.18
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)
-2.75

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