![CAS 2006277-02-5 2-[3-(Cyclopropylmethoxy)-4-ethoxyphenyl]acetic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2006277-02-5.png)
CAS RN: 2006277-02-5
2-[3-(Cyclopropylmethoxy)-4-ethoxyphenyl]acetic Acid
- Product code: SSC-094461
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2006277-02-5 / 2-[3-(cyclopropylmethoxy)-4-ethoxyphenyl]acetic acid
Basic Information
CAS
2006277-02-5
Multi CAS
No
Molecular Formula
C14H18O4
Molecular Weight
250.290000
Exact Mass
250.120509
SMILES
CCOC1=C(C=C(C=C1)CC(=O)O)OCC2CC2
InChI
InChI=1S/C14H18O4/c1-2-17-12-6-5-11(8-14(15)16)7-13(12)18-9-10-3-4-10/h5-7,10H,2-4,8-9H2,1H3,(H,15,16)
InChIKey
CKLBIWVUCMACMJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.17
TPSA
55.76
LogP / Solubility
WLOGP
2.5
MLOGP
2.21
XLogP3
2.1
Consensus LogP
2.27
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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