CAS RN: 14003-12-4
2-Furancarboxylic acid, 5-Methyl-, ethyl ester
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.20250831 | 100mg / 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS14003-12-4
- Purity/Analytical Methods: >99.0%
14003-12-4 / ethyl 5-methylfuran-2-carboxylate
Basic Information
CAS
14003-12-4
Multi CAS
No
Molecular Formula
C8H10O3
Molecular Weight
154.160000
Exact Mass
154.062994
SMILES
CCOC(=O)C1=CC=C(O1)C
InChI
InChI=1S/C8H10O3/c1-3-10-8(9)7-5-4-6(2)11-7/h4-5H,3H2,1-2H3
InChIKey
CDQUPTICIPKERO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
39.4
TPSA
39.44
LogP / Solubility
WLOGP
1.76
MLOGP
1.55
XLogP3
1.9
Consensus LogP
1.74
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately 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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
7-hydroxy-4-Methyl-2-oxo-2H-1-Benzopyran-8-carboxaldehyde
- CAS RN: 14003-96-4
- Product Code: SSC-050511
-
Eucalyptin acetate
- CAS RN: 14004-35-4
- Product Code: starshine_CAS14004-35-4
- Purity/Analytical method: >99.0%
-
(4-phenyltetrahydro-2H-pyran-4-yl)amine(SALTDATA: HCl)
- CAS RN: 14006-31-6
- Product Code: SSC-050521
-
