CAS RN: 332165-50-1
5-(4-FORMYL-2-METHOXY-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID METHYL ESTER
- Product code: SSC-139207
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 | Hong Kong | Inquiry |
332165-50-1 / methyl 5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate
Basic Information
CAS
332165-50-1
Multi CAS
No
Molecular Formula
C15H14O6
Molecular Weight
290.270000
Exact Mass
290.079038
InChI
InChI=1S/C15H14O6/c1-18-14-7-10(8-16)3-5-12(14)20-9-11-4-6-13(21-11)15(17)19-2/h3-8H,9H2,1-2H3
InChIKey
ZSVNXMACJMHFDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
72.76
TPSA
74.97
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
2.1
Consensus LogP
2.25
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly 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)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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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)
