![CAS 2102411-86-7 (3R)-6-CHLORO-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2102411-86-7.png)
CAS RN: 2102411-86-7
(3R)-6-CHLORO-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-100041
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
2102411-86-7 / (3R)-6-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
Basic Information
CAS
2102411-86-7
Multi CAS
No
Molecular Formula
C8H9Cl2NO
Molecular Weight
206.070000
Exact Mass
205.006119
SMILES
C1[C@@H](C2=C(O1)C=C(C=C2)Cl)N.Cl
InChI
InChI=1S/C8H8ClNO.ClH/c9-5-1-2-6-7(10)4-11-8(6)3-5;/h1-3,7H,4,10H2;1H/t7-;/m0./s1
InChIKey
FNDBVJRISNWNHM-FJXQXJEOSA-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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