CAS RN: 20955-94-6
N-(4-CHLOROBENZYL)-N-(4-METHOXYPHENYL)HYDRAZINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251007 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS20955-94-6
- Purity/Analytical Methods: >99.0%
20955-94-6 / 1-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)hydrazine;hydrochloride
Basic Information
CAS
20955-94-6
Multi CAS
No
Molecular Formula
C14H16Cl2N2O
Molecular Weight
299.200000
Exact Mass
298.063969
SMILES
COC1=CC=C(C=C1)N(CC2=CC=C(C=C2)Cl)N.Cl
InChI
InChI=1S/C14H15ClN2O.ClH/c1-18-14-8-6-13(7-9-14)17(16)10-11-2-4-12(15)5-3-11;/h2-9H,10,16H2,1H3;1H
InChIKey
NDCIXQARVUNTKN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
82.06
TPSA
38.49
LogP / Solubility
WLOGP
3.65
MLOGP
3.22
XLogP3
3.65
Consensus LogP
3.51
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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