CAS RN: 40914-13-4
2-CHLORO-N-(2-FURYLMETHYL)ACETAMIDE
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.20260601 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40914-13-4
- Purity/Analytical Methods: >99.0%
40914-13-4 / 2-chloro-N-(furan-2-ylmethyl)acetamide
Basic Information
CAS
40914-13-4
Multi CAS
Yes
Molecular Formula
C7H8CLNO2
Molecular Weight
173.600000
Exact Mass
173.024356
InChI
InChI=1S/C7H8ClNO2/c8-4-7(10)9-5-6-2-1-3-11-6/h1-3H,4-5H2,(H,9,10)
InChIKey
DRDCOQBVIBGWCZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.27
TPSA
42.24
LogP / Solubility
WLOGP
1.13
MLOGP
1
XLogP3
0.8
Consensus LogP
0.98
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
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)
-2.97
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
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![CAS 40915-27-3 (3,4,5-TRIMETHOXYBENZOYL)AMINO]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/40915-27-3.gif)
