CAS RN: 28403-23-8

2H-1-BENZOPYRAN, 4-AMINO-3,4-DIHYDRO-7-METHOXY-, HYDROCHLORIDE

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Batchno.20251215 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS28403-23-8
  • Purity/Analytical Methods: >99.0%
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28403-23-8 / 7-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride

Standard CAS: 28403-23-8 Multi CAS: No

Basic Information

CAS
28403-23-8
Multi CAS
No
Molecular Formula
C10H14ClNO2
Molecular Weight
215.670000
Exact Mass
215.071306
InChI
InChI=1S/C10H13NO2.ClH/c1-12-7-2-3-8-9(11)4-5-13-10(8)6-7;/h2-3,6,9H,4-5,11H2,1H3;1H
InChIKey
UGUDCOKSWWARPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.28
TPSA
44.48

LogP / Solubility

WLOGP
1.9
MLOGP
1.67
XLogP3
1.9
Consensus LogP
1.82
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.69

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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