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CAS 366-70-1 Procarbazine Hydrochloride molecular structure lightbox
CAS RN: 366-70-1

Procarbazine Hydrochloride

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Batchno.20250301 5g In stock Shanghai Inquiry
Batchno.20260606 5g In stock Shanghai Inquiry
  • Product code: ICTP2550
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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366-70-1 / 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride

Standard CAS: 366-70-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
366-70-1
Multi CAS
Yes
Molecular Formula
C12H20CLN3O
Molecular Weight
257.760000
Exact Mass
257.129490
InChI
InChI=1S/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H
InChIKey
DERJYEZSLHIUKF-UHFFFAOYSA-N

Physical Properties

Melting Point
433 °F (decomposes) (NTP, 1992)
Physical Description
Procarbazine hydrochloride is a white to pale yellow crystalline powder with a slight odor. Acid to litmus. (NTP, 1992)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
72.19
TPSA
53.16

LogP / Solubility

WLOGP
1.47
MLOGP
1.3
XLogP3
1.47
Consensus LogP
1.41
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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