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CAS 62232-46-6 Bifemelane HCl molecular structure lightbox
CAS RN: 62232-46-6

Bifemelane HCl

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260425 10mg / 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS62232-46-6
  • Purity/Analytical Methods: >99.0%
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62232-46-6 / 4-(2-benzylphenoxy)-N-methylbutan-1-amine;hydrochloride

Standard CAS: 62232-46-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62232-46-6
Multi CAS
Yes
Molecular Formula
C18H24CLNO
Molecular Weight
305.800000
Exact Mass
305.154642
InChI
InChI=1S/C18H23NO.ClH/c1-19-13-7-8-14-20-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16;/h2-6,9-12,19H,7-8,13-15H2,1H3;1H
InChIKey
MEAHDXWXNNDSAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
91.59
TPSA
21.26

LogP / Solubility

WLOGP
4.08
MLOGP
3.6
XLogP3
4.08
Consensus LogP
3.92
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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