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CAS 38175-35-8 3-(3-METHOXYPHENYL)PYRROLIDINE molecular structure lightbox
CAS RN: 38175-35-8

3-(3-METHOXYPHENYL)PYRROLIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250817 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS38175-35-8
  • Purity/Analytical Methods: >99.0%
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38175-35-8 / 3-(3-methoxyphenyl)pyrrolidine

Standard CAS: 38175-35-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38175-35-8
Multi CAS
No
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
InChI
InChI=1S/C11H15NO/c1-13-11-4-2-3-9(7-11)10-5-6-12-8-10/h2-4,7,10,12H,5-6,8H2,1H3
InChIKey
MDZWFRVPKYMLPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.22
TPSA
21.26

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1.6
Consensus LogP
1.64
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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