CAS RN: 2241594-15-8
(R)-METHYL 3-AMINO-2,3-DIHYDROBENZOFURAN-5-CARBOXYLATE HYDROCHLORIDE
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.20250924 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2241594-15-8
- Purity/Analytical Methods: >99.0%
2241594-15-8 / methyl (3R)-3-amino-2,3-dihydro-1-benzofuran-5-carboxylate;hydrochloride
Basic Information
CAS
2241594-15-8
Multi CAS
No
Molecular Formula
C10H12ClNO3
Molecular Weight
229.660000
Exact Mass
229.050571
SMILES
COC(=O)C1=CC2=C(C=C1)OC[C@@H]2N.Cl
InChI
InChI=1S/C10H11NO3.ClH/c1-13-10(12)6-2-3-9-7(4-6)8(11)5-14-9;/h2-4,8H,5,11H2,1H3;1H/t8-;/m0./s1
InChIKey
BUQZMKIYGBQOEL-QRPNPIFTSA-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
57.45
TPSA
61.55
LogP / Solubility
WLOGP
1.29
MLOGP
1.14
XLogP3
1.29
Consensus LogP
1.24
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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