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CAS 1366664-52-9 (R)-3-Phenoxy-pyrrolidine.HCl molecular structure lightbox
CAS RN: 1366664-52-9

(R)-3-Phenoxy-pyrrolidine.HCl

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260407 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1366664-52-9
  • Purity/Analytical Methods: >99.0%
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1366664-52-9 / (3R)-3-phenoxypyrrolidine;hydrochloride

Standard CAS: 1366664-52-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1366664-52-9
Multi CAS
No
Molecular Formula
C10H14ClNO
Molecular Weight
199.680000
Exact Mass
199.076392
SMILES
C1CNC[C@@H]1OC2=CC=CC=C2.Cl
InChI
InChI=1S/C10H13NO.ClH/c1-2-4-9(5-3-1)12-10-6-7-11-8-10;/h1-5,10-11H,6-8H2;1H/t10-;/m1./s1
InChIKey
NHLZTNBPPGIUMZ-HNCPQSOCSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.59
TPSA
21.26

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
1.85
Consensus LogP
1.78
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.63

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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