![CAS 692778-41-9 Cyclopropanecarboxylic acid, 2-[(phenylmethoxy)methyl]-, ethyl ester, (1S,2S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/692778-41-9.gif)
CAS RN: 692778-41-9
Cyclopropanecarboxylic acid, 2-[(phenylmethoxy)methyl]-, ethyl ester, (1S,2S)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251108 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS692778-41-9
- Purity/Analytical Methods: >99.0%
692778-41-9 / cis-ethyl (1S,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
Basic Information
CAS
692778-41-9
Multi CAS
Yes
Molecular Formula
C14H18O3
Molecular Weight
234.290000
Exact Mass
234.125594
InChI
InChI=1S/C14H18O3/c1-2-17-14(15)13-8-12(13)10-16-9-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-,13+/m1/s1
InChIKey
WPTIXUDEALSQOF-OLZOCXBDSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
64.33
TPSA
35.53
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
2.2
Consensus LogP
2.24
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly 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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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