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CAS 132-22-9 Chloropheniramine molecular structure lightbox
CAS RN: 132-22-9

Chloropheniramine

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5 package records3 with current stock1 grade group
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Batchno.20250717 100mg Out of stock Inquiry
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  • Product code: starshine_CAS132-22-9
  • Purity/Analytical Methods: >99.0%
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132-22-9 / 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine

Standard CAS: 132-22-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
132-22-9
Multi CAS
No
Molecular Formula
C16H19ClN2
Molecular Weight
274.790000
Exact Mass
274.123676
SMILES
CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2
InChI
InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
InChIKey
SOYKEARSMXGVTM-UHFFFAOYSA-N

Physical Properties

Melting Point
130 - 135 °C
Boiling Point
142 °C @ 1.0 MM HG
Physical Description
Solid
Appearance
OILY LIQUID
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
80.7
TPSA
16.13

LogP / Solubility

WLOGP
3.82
MLOGP
3.37
XLogP3
3.4
Consensus LogP
3.53
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69

Drug-likeness / Medicinal Chemistry

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

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