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CAS 2241594-38-5 (4S)-7-CHLORO-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-AMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 2241594-38-5

(4S)-7-CHLORO-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-AMINE HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251129 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2241594-38-5
  • Purity/Analytical Methods: >99.0%
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2241594-38-5 / (4S)-7-chloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride

Standard CAS: 2241594-38-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2241594-38-5
Multi CAS
No
Molecular Formula
C9H11Cl2NO
Molecular Weight
220.090000
Exact Mass
219.021769
SMILES
C1COC2=C([C@H]1N)C=CC(=C2)Cl.Cl
InChI
InChI=1S/C9H10ClNO.ClH/c10-6-1-2-7-8(11)3-4-12-9(7)5-6;/h1-2,5,8H,3-4,11H2;1H/t8-;/m0./s1
InChIKey
MUKIHNNHMAAWPC-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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