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CAS 671225-39-1 CARDIOGENOL C HYDROCHLORID molecular structure lightbox
CAS RN: 671225-39-1

CARDIOGENOL C HYDROCHLORID

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260311 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS671225-39-1
  • Purity/Analytical Methods: >99.0%
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671225-39-1 / 2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol

Standard CAS: 671225-39-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
671225-39-1
Multi CAS
Yes
Molecular Formula
C13H16N4O2
Molecular Weight
260.290000
Exact Mass
260.127326
InChI
InChI=1S/C13H16N4O2/c1-19-11-4-2-10(3-5-11)16-13-15-7-6-12(17-13)14-8-9-18/h2-7,18H,8-9H2,1H3,(H2,14,15,16,17)
InChIKey
LKBSMPFEKIBRGC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.23
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
73.88
TPSA
79.3

LogP / Solubility

WLOGP
1.63
MLOGP
1.44
XLogP3
1.7
Consensus LogP
1.59
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.43
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)
-3.15

Drug-likeness / Medicinal Chemistry

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

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