[email protected]
CAS 109716-61-2 Cyclopropanecarboxylic acid, 2-formyl-, ethyl ester, (1S-trans)- (9CI) molecular structure lightbox
CAS RN: 109716-61-2

Cyclopropanecarboxylic acid, 2-formyl-, ethyl ester, (1S-trans)- (9CI)

  • Product code: SSC-011059
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, 5g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 109716-61-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry

109716-61-2 / cis-ethyl (1S,2S)-2-formylcyclopropane-1-carboxylate

Ethyl 2-formylcyclopropanecarboxylate | ethyl 2-formylcyclopropane-1-carboxylate | Ethyl 2-formyl-1-cyclopropanecarboxylate

Standard CAS: 109716-61-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
109716-61-2
Multi CAS
Yes
Molecular Formula
C7H10O3
Molecular Weight
142.150000
Exact Mass
142.062994
SMILES
CCOC(=O)[C@H]1C[C@@H]1C=O
InChI
InChI=1S/C7H10O3/c1-2-10-7(9)6-3-5(6)4-8/h4-6H,2-3H2,1H3
InChIKey
MDWXTLNIZCHBJE-UHFFFAOYSA-N
Synonyms
Ethyl 2-formylcyclopropanecarboxylate ethyl 2-formylcyclopropane-1-carboxylate Ethyl 2-formyl-1-cyclopropanecarboxylate Cyclopropanecarboxylic acid, 2-formyl-, ethyl ester MFCD00001285

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
34.29
TPSA
43.37

LogP / Solubility

WLOGP
0.38
MLOGP
0.33
XLogP3
0.1
Consensus LogP
0.27
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us