CAS RN: 74222-19-8
2-Benzofurancarboxylic acid, 6-chloro-, ethyl ester
- Product code: SSC-183681
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 0.25g, 1g, 0.1g, 10g
- Available purity: ≥97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥97% | 4 In Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 4 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
74222-19-8 / ethyl 6-chloro-1-benzofuran-2-carboxylate
Basic Information
CAS
74222-19-8
Multi CAS
No
Molecular Formula
C11H9CLO3
Molecular Weight
224.640000
Exact Mass
224.024022
InChI
InChI=1S/C11H9ClO3/c1-2-14-11(13)10-5-7-3-4-8(12)6-9(7)15-10/h3-6H,2H2,1H3
InChIKey
VRFLUTDLJWMWEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
57.18
TPSA
39.44
LogP / Solubility
WLOGP
3.26
MLOGP
2.87
XLogP3
3.5
Consensus LogP
3.21
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
DPX-T5648
- CAS RN: 74222-97-2
- Product Code: starshine_CAS74222-97-2
- Purity/Analytical method: >99.0%
-
Bis(4-(diphenylsulfonio)phenyl)sulfide bis(hexafluorophosphate)
- CAS RN: 74227-35-3
- Product Code: SSC-183684
-
3-DI CYANO METHYLIDINE-2,3-DIHYDROXYTHIOPHENE-3-YIDINO
- CAS RN: 74228-25-4
- Product Code: SSC-183685
-
-
2Deoxymugineic Acid
- CAS RN: 74235-24-8
- Product Code: starshine_CAS74235-24-8
- Purity/Analytical method: >99.0%
-
MONOBROMOBIMANE
- CAS RN: 74235-78-2
- Product Code: starshine_CAS74235-78-2
- Purity/Analytical method: >99.0%
