CAS RN: 1414842-70-8
VU0364770 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.20250307 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1414842-70-8
- Purity/Analytical Methods: >99.0%
1414842-70-8 / N-(3-chlorophenyl)pyridine-2-carboxamide;hydrochloride
Basic Information
CAS
1414842-70-8
Multi CAS
No
Molecular Formula
C12H10Cl2N2O
Molecular Weight
269.120000
Exact Mass
268.017018
SMILES
C1=CC=NC(=C1)C(=O)NC2=CC(=CC=C2)Cl.Cl
InChI
InChI=1S/C12H9ClN2O.ClH/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11;/h1-8H,(H,15,16);1H
InChIKey
CZNNJOSFWZBQKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.89
TPSA
41.99
LogP / Solubility
WLOGP
3.41
MLOGP
3.01
XLogP3
3.41
Consensus LogP
3.28
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
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)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
N-(9-Deoxy-epi-cinchonin-9-yl)picolinaMide
- CAS RN: 1414851-55-0
- Product Code: starshine_CAS1414851-55-0
- Purity/Analytical method: >99.0%
-
Verosudil
- CAS RN: 1414854-42-4
- Product Code: starshine_CAS1414854-42-4
- Purity/Analytical method: >99.0%
-
-
(4-Bromo-3-chlorobenzyl)dimethylamine
- CAS RN: 1414870-53-3
- Product Code: starshine_CAS1414870-53-3
- Purity/Analytical method: >99.0%
-
-
Rauvoyunine A
- CAS RN: 1414883-81-0
- Product Code: starshine_CAS1414883-81-0
- Purity/Analytical method: >99.0%
![CAS 1414860-36-8 3-Oxa-6-aza-bicyclo[3.1.1]heptane tosylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1414860-36-8.gif)
