CAS RN: 33619-33-9
Acetamide,N,N’-1,5-pentanediylbis[2-chloro-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS33619-33-9
- Purity/Analytical Methods: >99.0%
33619-33-9 / 2-chloro-N-[5-[(2-chloroacetyl)amino]pentyl]acetamide
Basic Information
CAS
33619-33-9
Multi CAS
Yes
Molecular Formula
C9H16CL2N2O2
Molecular Weight
255.140000
Exact Mass
254.058883
InChI
InChI=1S/C9H16Cl2N2O2/c10-6-8(14)12-4-2-1-3-5-13-9(15)7-11/h1-7H2,(H,12,14)(H,13,15)
InChIKey
YHXXCHVUPKCXGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.31
TPSA
58.2
LogP / Solubility
WLOGP
0.87
MLOGP
0.77
XLogP3
1.2
Consensus LogP
0.95
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66
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
Customers Also Viewed
-
1,6-Dihydroxyeriolanolide
- CAS RN: 33620-72-3
- Product Code: starshine_CAS33620-72-3
- Purity/Analytical method: >99.0%
-
{[5-(2-FURYL)-1,3,4-OXADIAZOL-2-YL]THIO}ACETIC ACID
- CAS RN: 33621-24-8
- Product Code: SSC-139776
-
-
2-AMINO-5-(4-CHLOROPHENYL)-1 3 4-OXADIA&
- CAS RN: 33621-61-3
- Product Code: starshine_CAS33621-61-3
- Purity/Analytical method: >99.0%
-
-
![CAS 33621-24-8 {[5-(2-FURYL)-1,3,4-OXADIAZOL-2-YL]THIO}ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/33621-24-8.gif)
