[email protected]
CAS 106813-54-1 Bicyclo[1.1.1]pentane-1-carboxylic acid, methyl ester (9CI) molecular structure lightbox
CAS RN: 106813-54-1

Bicyclo[1.1.1]pentane-1-carboxylic acid, methyl ester (9CI)

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251021 100mg In stock Shanghai Inquiry
Batchno.20251023 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250227 1g In stock Shanghai Inquiry
Batchno.20250710 250mg In stock Shanghai Inquiry
  • Product code: SSC-008319
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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • 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 106813-54-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Shanghai Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

106813-54-1 / methyl bicyclo[1.1.1]pentane-1-carboxylate

methyl bicyclo[1.1.1]pentane-1-carboxylate | Bicyclo[1.1.1]pentane-1-carboxylic acid, methyl ester (9CI) | MFCD28501873

Standard CAS: 106813-54-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106813-54-1
Multi CAS
No
Molecular Formula
C7H10O2
Molecular Weight
126.150000
Exact Mass
126.068080
SMILES
COC(=O)C12CC(C1)C2
InChI
InChI=1S/C7H10O2/c1-9-6(8)7-2-5(3-7)4-7/h5H,2-4H2,1H3
InChIKey
JLFOFQQASSASLV-UHFFFAOYSA-N
Synonyms
methyl bicyclo[1.1.1]pentane-1-carboxylate Bicyclo[1.1.1]pentane-1-carboxylic acid, methyl ester (9CI) MFCD28501873 methylbicyclo[1.1.1]pentane-1-carboxylate SCHEMBL16033365

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
31.79
TPSA
26.3

LogP / Solubility

WLOGP
0.96
MLOGP
0.84
XLogP3
0.8
Consensus LogP
0.87
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us