![CAS 2102412-96-2 (3R)-4-CHLORO-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2102412-96-2.png)
CAS RN: 2102412-96-2
(3R)-4-CHLORO-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE 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.20260526 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2102412-96-2
- Purity/Analytical Methods: >99.0%
2102412-96-2 / (3R)-4-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
Basic Information
CAS
2102412-96-2
Multi CAS
No
Molecular Formula
C8H9Cl2NO
Molecular Weight
206.070000
Exact Mass
205.006119
SMILES
C1[C@@H](C2=C(O1)C=CC=C2Cl)N.Cl
InChI
InChI=1S/C8H8ClNO.ClH/c9-5-2-1-3-7-8(5)6(10)4-11-7;/h1-3,6H,4,10H2;1H/t6-;/m0./s1
InChIKey
DGIODMAWMUIYPH-RGMNGODLSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.12
TPSA
35.25
LogP / Solubility
WLOGP
2.15
MLOGP
1.9
XLogP3
2.15
Consensus LogP
2.07
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.45
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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