CAS RN: 14003-11-3
5-METHYLFURAN-2-CARBONYL CHLORIDE
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.20250921 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS14003-11-3
- Purity/Analytical Methods: >99.0%
14003-11-3 / 5-methylfuran-2-carbonyl chloride
Basic Information
CAS
14003-11-3
Multi CAS
No
Molecular Formula
C6H5ClO2
Molecular Weight
144.550000
Exact Mass
143.997807
SMILES
CC1=CC=C(O1)C(=O)Cl
InChI
InChI=1S/C6H5ClO2/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3
InChIKey
ZURUVZFDEVKNCE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
33.63
TPSA
30.21
LogP / Solubility
WLOGP
1.97
MLOGP
1.72
XLogP3
2.2
Consensus LogP
1.96
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H314 (15.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H319 (84.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501
Customers Also Viewed
-
2-Furancarboxylic acid, 5-Methyl-, ethyl ester
- CAS RN: 14003-12-4
- Product Code: starshine_CAS14003-12-4
- Purity/Analytical method: >99.0%
-
-
-
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
