CAS RN: 182808-04-4
4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250222 | 100mg | In stock | Tianjin, Chengdu | Inquiry | |
| Batchno.20260314 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250922 | 1g | Out of stock | Inquiry | ||
| Batchno.20251013 | 250mg | In stock | Shenzhen, Chengdu | Inquiry | |
| Batchno.20250804 | 5g | In stock | Shenzhen | Inquiry |
- Product code: starshine_CAS182808-04-4
- Purity/Analytical Methods: >99.0%
182808-04-4 / methyl 4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylate
Basic Information
CAS
182808-04-4
Multi CAS
No
Molecular Formula
C10H10ClNO3
Molecular Weight
227.640000
Exact Mass
227.034921
SMILES
COC(=O)C1=CC(=C(C2=C1OCC2)N)Cl
InChI
InChI=1S/C10H10ClNO3/c1-14-10(13)6-4-7(11)8(12)5-2-3-15-9(5)6/h4H,2-3,12H2,1H3
InChIKey
VIKJMUYUUPEQNN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.4
TPSA
61.55
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
1.7
Consensus LogP
1.6
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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phosphino]oxy]propyl]-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1-[3-[(4-methoxyphenyl)diphenylmethoxy]propyl]-3,3-dimethyl-, chloride (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/182873-67-2.gif)
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phosphino]oxy]propyl]-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene]-1-propen-1-yl]-1-[3-[(4-methoxyphenyl)diphenylmethoxy]propyl]-3,3-dimethyl-, chloride (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/182873-76-3.gif)