CAS RN: 2061996-42-5
(S)-8-Chlorochroman-4-amine 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.20250316 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2061996-42-5
- Purity/Analytical Methods: >99.0%
2061996-42-5 / (4S)-8-chloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
Basic Information
CAS
2061996-42-5
Multi CAS
No
Molecular Formula
C9H11Cl2NO
Molecular Weight
220.090000
Exact Mass
219.021769
SMILES
C1COC2=C([C@H]1N)C=CC=C2Cl.Cl
InChI
InChI=1S/C9H10ClNO.ClH/c10-7-3-1-2-6-8(11)4-5-12-9(6)7;/h1-3,8H,4-5,11H2;1H/t8-;/m0./s1
InChIKey
BXLLHMUHNIPMNB-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.74
TPSA
35.25
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2.54
Consensus LogP
2.44
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly 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)
-2.26
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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