[email protected]
CAS 1086399-13-4 Spiro[2.5]octane-6-carboxylic acid molecular structure lightbox
CAS RN: 1086399-13-4

Spiro[2.5]octane-6-carboxylic acid

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250724 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250403 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20260627 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250725 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250814 25g In stock Shanghai Inquiry
Batchno.20260208 5g In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-009952
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 1086399-13-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1086399-13-4 / spiro[2.5]octane-6-carboxylic acid

Spiro[2.5]octane-6-carboxylic acid | DTXSID20704679 | Spiro(2.5)octane-6-carboxylic acid

Standard CAS: 1086399-13-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1086399-13-4
Multi CAS
No
Molecular Formula
C9H14O2
Molecular Weight
154.210000
Exact Mass
154.099380
SMILES
C1CC2(CCC1C(=O)O)CC2
InChI
InChI=1S/C9H14O2/c10-8(11)7-1-3-9(4-2-7)5-6-9/h7H,1-6H2,(H,10,11)
InChIKey
WSLJLPGZOGZIOK-UHFFFAOYSA-N
Synonyms
Spiro[2.5]octane-6-carboxylic acid DTXSID20704679 Spiro(2.5)octane-6-carboxylic acid RefChem:380842 DTXCID90655427

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.26
TPSA
37.3

LogP / Solubility

WLOGP
2.04
MLOGP
1.79
XLogP3
2.3
Consensus LogP
2.04
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-2.21

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us