CAS RN: 2055840-77-0
ethyl (1S,2S)-rel-2-(4-ethoxy-3-fluorophenyl)cyclopropane-1-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250819 | 1g / 5g | Out of stock | 1 business days | Inquiry |
- Product code: SSC-096789
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2055840-77-0 / trans-ethyl (1S,2S)-2-(4-ethoxy-3-fluorophenyl)cyclopropane-1-carboxylate
Basic Information
CAS
2055840-77-0
Multi CAS
No
Molecular Formula
C14H17FO3
Molecular Weight
252.280000
Exact Mass
252.116173
SMILES
CCOC1=C(C=C(C=C1)[C@H]2C[C@@H]2C(=O)OCC)F
InChI
InChI=1S/C14H17FO3/c1-3-17-13-6-5-9(7-12(13)15)10-8-11(10)14(16)18-4-2/h5-7,10-11H,3-4,8H2,1-2H3/t10-,11+/m1/s1
InChIKey
UAGWDSJVEJEZQQ-MNOVXSKESA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
65.05
TPSA
35.53
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
2.8
Consensus LogP
2.75
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly 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
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 2055840-78-1 tert-butyl 3-hydroxy-3-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-butyl 3-hydroxy-3-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
- CAS RN: 2055840-78-1
- Product Code: SSC-096790
-
2H-Isoindole-2-carboxylic acid, 6-bromo-1,3-dihydro-1,1-dimethyl-, 1,1-dimethylethyl ester
- CAS RN: 2055840-81-6
- Product Code: SSC-096791
-
ethyl trans-4-cyclopropylpyrrolidine-3-carboxylate hydrochloride
- CAS RN: 2055840-84-9
- Product Code: SSC-096792
-
methyl (1S,3S)-rel-3-bromocyclopentane-1-carboxylate
- CAS RN: 2055840-88-3
- Product Code: SSC-096793
-
methyl 1-(benzenesulfonyl)-3-methyl-1H-indole-2-carboxylate
- CAS RN: 2055840-89-4
- Product Code: SSC-096794
-
propan-2-yl -1-{[(tert-butoxy)carbonyl]amino}-3-hydroxycyclobutane-1-carboxylate,trans-
- CAS RN: 2055840-96-3
- Product Code: starshine_CAS2055840-96-3
- Purity/Analytical method: >99.0%
![CAS 2055840-78-1 tert-butyl 3-hydroxy-3-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055840-78-1.png)
![CAS 2055840-96-3 propan-2-yl -1-{[(tert-butoxy)carbonyl]amino}-3-hydroxycyclobutane-1-carboxylate,trans- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055840-96-3.png)