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CAS 74733-37-2 Methyl 4-(3-aMinopropyl)benzoate hydrochloride molecular structure lightbox
CAS RN: 74733-37-2

Methyl 4-(3-aMinopropyl)benzoate hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260111 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS74733-37-2
  • Purity/Analytical Methods: >99.0%
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74733-37-2 / methyl 4-(3-aminopropyl)benzoate;hydrochloride

Standard CAS: 74733-37-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74733-37-2
Multi CAS
No
Molecular Formula
C11H16CLNO2
Molecular Weight
229.700000
Exact Mass
229.086956
InChI
InChI=1S/C11H15NO2.ClH/c1-14-11(13)10-6-4-9(5-7-10)3-2-8-12;/h4-7H,2-3,8,12H2,1H3;1H
InChIKey
HBECMWBQBLMLDP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.4
TPSA
52.32

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
1.79
Consensus LogP
1.72
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
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)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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