![CAS 212135-62-1 Benzamide, 5-chloro-N-[5-chloro-4-[(4-chlorophenyl)cyanomethyl]-2-methylphenyl]-2-hydroxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/212135-62-1.gif)
CAS RN: 212135-62-1
Benzamide, 5-chloro-N-[5-chloro-4-[(4-chlorophenyl)cyanomethyl]-2-methylphenyl]-2-hydroxy-
Product Availability
Choose a grade to view its available package options.
6 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260212 | 10mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS212135-62-1
- Purity/Analytical Methods: >99.0%
212135-62-1 / 5-chloro-N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-2-hydroxybenzamide
Basic Information
CAS
212135-62-1
Multi CAS
No
Molecular Formula
C22H15Cl3N2O2
Molecular Weight
445.700000
Exact Mass
444.019911
SMILES
CC1=CC(=C(C=C1NC(=O)C2=C(C=CC(=C2)Cl)O)Cl)C(C#N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H15Cl3N2O2/c1-12-8-16(18(11-26)13-2-4-14(23)5-3-13)19(25)10-20(12)27-22(29)17-9-15(24)6-7-21(17)28/h2-10,18,28H,1H3,(H,27,29)
InChIKey
RPTKRVXJNWPJLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
116.17
TPSA
73.12
LogP / Solubility
WLOGP
6.57
MLOGP
5.81
XLogP3
6.6
Consensus LogP
6.33
Log S (ESOL)
-6.94
Class (ESOL)
Insoluble
Log S (Ali)
-7.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
4-(2-pyridin-4-ylethynyl)benzoic acid
- CAS RN: 212138-35-7
- Product Code: starshine_CAS212138-35-7
- Purity/Analytical method: >99.0%
-
-
-
Vatalanib Dihydrochloride
- CAS RN: 212141-51-0
- Product Code: starshine_CAS212141-51-0
- Purity/Analytical method: >99.0%
-
Vatalanib base
- CAS RN: 212141-54-3
- Product Code: starshine_CAS212141-54-3
- Purity/Analytical method: >99.0%
-
Vatalanib succinate
- CAS RN: 212142-18-2
- Product Code: starshine_CAS212142-18-2
- Purity/Analytical method: >99.0%
