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CAS 676134-25-1 (S)-6-ISOPROPYLCHROMAN-4-AMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 676134-25-1

(S)-6-ISOPROPYLCHROMAN-4-AMINE HYDROCHLORIDE

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250820 100mg Out of stock Inquiry
Batchno.20250702 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250405 250mg Out of stock Inquiry
  • Product code: starshine_CAS676134-25-1
  • Purity/Analytical Methods: >99.0%
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676134-25-1 / (4S)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine;hydrochloride

Standard CAS: 676134-25-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
676134-25-1
Multi CAS
Yes
Molecular Formula
C12H18CLNO
Molecular Weight
227.730000
Exact Mass
227.107692
InChI
InChI=1S/C12H17NO.ClH/c1-8(2)9-3-4-12-10(7-9)11(13)5-6-14-12;/h3-4,7-8,11H,5-6,13H2,1-2H3;1H/t11-;/m0./s1
InChIKey
MKGWECWQYNDBFZ-MERQFXBCSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.82
TPSA
35.25

LogP / Solubility

WLOGP
3.01
MLOGP
2.66
XLogP3
3.01
Consensus LogP
2.89
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-1.97

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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