[email protected]
CAS 135637-81-9 (1R,5S,6S)-ETHYL 3-OXABICYCLO[3.1.0]HEXANE-6-CARBOXYLATE molecular structure lightbox
CAS RN: 135637-81-9

(1R,5S,6S)-ETHYL 3-OXABICYCLO[3.1.0]HEXANE-6-CARBOXYLATE

  • Product code: SSC-044166
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 135637-81-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Beijing Inquiry

135637-81-9 / ethyl (1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carboxylate

Standard CAS: 135637-81-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
135637-81-9
Multi CAS
No
Molecular Formula
C8H12O3
Molecular Weight
156.180000
Exact Mass
156.078644
SMILES
CCOC(=O)C1[C@H]2[C@@H]1COC2
InChI
InChI=1S/C8H12O3/c1-2-11-8(9)7-5-3-10-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+,7?
InChIKey
XAESUVRCRNJFDR-MEKDEQNOSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
37.92
TPSA
35.53

LogP / Solubility

WLOGP
0.44
MLOGP
0.38
XLogP3
0.4
Consensus LogP
0.41
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
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)
-3.36

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us