CAS RN: 2653-08-9
NSC 49396
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.20260228 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2653-08-9
- Purity/Analytical Methods: >99.0%
2653-08-9 / 2-chloro-N-[4-[(2-chloroacetyl)amino]phenyl]acetamide
Basic Information
CAS
2653-08-9
Multi CAS
No
Molecular Formula
C10H10Cl2N2O2
Molecular Weight
261.100000
Exact Mass
260.011933
SMILES
C1=CC(=CC=C1NC(=O)CCl)NC(=O)CCl
InChI
InChI=1S/C10H10Cl2N2O2/c11-5-9(15)13-7-1-2-8(4-3-7)14-10(16)6-12/h1-4H,5-6H2,(H,13,15)(H,14,16)
InChIKey
RKJYUCXSQOPWBA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.14
TPSA
58.2
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
1.5
Consensus LogP
1.78
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.86
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
Customers Also Viewed
-
![CAS 2696-03-9 2,8-Diazaspiro[4.5]decane-1,3-dione, (Hydrochloride) (1:1) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2,8-Diazaspiro[4.5]decane-1,3-dione, (Hydrochloride) (1:1)
- CAS RN: 2696-03-9
- Product Code: SSC-125446
-
-
-
N,N-Diethyl-p-toluamide
- CAS RN: 2728-05-4
- Product Code: starshine_CAS2728-05-4
- Purity/Analytical method: >99.0%
-
-
1-ETHYL-3-PHENYL-2-THIOUREA
- CAS RN: 2741-06-2
- Product Code: starshine_CAS2741-06-2
- Purity/Analytical method: >99.0%
![CAS 2696-03-9 2,8-Diazaspiro[4.5]decane-1,3-dione, (Hydrochloride) (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2696-03-9.gif)
