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CAS 6170-42-9 Chloropyramine hydrochloride molecular structure lightbox
CAS RN: 6170-42-9

Chloropyramine hydrochloride

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8 package records6 with current stock2 grade groups
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Batchno.20260218 100mg In stock Inquiry
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  • Product code: starshine_CAS6170-42-9
  • Purity/Analytical Methods: >99.0%
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6170-42-9 / N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride

Standard CAS: 6170-42-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6170-42-9
Multi CAS
Yes
Molecular Formula
C16H21CL2N3
Molecular Weight
326.300000
Exact Mass
325.111253
InChI
InChI=1S/C16H20ClN3.ClH/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14;/h3-10H,11-13H2,1-2H3;1H
InChIKey
VEYWWAGBHABATA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.31
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
92.54
TPSA
19.37

LogP / Solubility

WLOGP
3.73
MLOGP
3.29
XLogP3
3.73
Consensus LogP
3.58
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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