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CAS 639029-42-8 PRX933 hydrochloride molecular structure lightbox
CAS RN: 639029-42-8

PRX933 hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260502 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS639029-42-8
  • Purity/Analytical Methods: >99.0%
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639029-42-8 / 2-[(2R)-2-methylpiperazin-1-yl]-3-(2-pyridin-3-yloxyethoxy)pyrazine;hydrochloride

Standard CAS: 639029-42-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
639029-42-8
Multi CAS
Yes
Molecular Formula
C16H22CLN5O2
Molecular Weight
351.800000
Exact Mass
351.146203
InChI
InChI=1S/C16H21N5O2.ClH/c1-13-11-18-7-8-21(13)15-16(20-6-5-19-15)23-10-9-22-14-3-2-4-17-12-14;/h2-6,12-13,18H,7-11H2,1H3;1H/t13-;/m1./s1
InChIKey
SAQDAMABRIBIHR-BTQNPOSSSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
94.18
TPSA
72.4

LogP / Solubility

WLOGP
1.55
MLOGP
1.38
XLogP3
1.55
Consensus LogP
1.49
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.77

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
3

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