CAS RN: 332165-48-7
5-(4-FORMYL-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID METHYL ESTER
- Product code: SSC-139206
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 | Beijing | Inquiry |
332165-48-7 / methyl 5-[(4-formylphenoxy)methyl]furan-2-carboxylate
Basic Information
CAS
332165-48-7
Multi CAS
No
Molecular Formula
C14H12O5
Molecular Weight
260.240000
Exact Mass
260.068473
InChI
InChI=1S/C14H12O5/c1-17-14(16)13-7-6-12(19-13)9-18-11-4-2-10(8-15)3-5-11/h2-8H,9H2,1H3
InChIKey
AYHOLHMSJNQTNA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
66.21
TPSA
65.74
LogP / Solubility
WLOGP
2.46
MLOGP
2.17
XLogP3
2.1
Consensus LogP
2.24
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 332187-61-8 6-CHLORO-1,2-DIHYDRO-2-OXOSPIRO[4H-3,1-BENZOXAZINE-4,4′-PIPERIDINE]-1′-CARBOXYLIC ACID 1,1-DIMETHYL ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/332187-61-8.gif)
