CAS RN: 16813-43-7
N,N’-BIS(2-CHLOROETHYL)OXAMIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250505 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS16813-43-7
- Purity/Analytical Methods: >99.0%
16813-43-7 / N,N'-bis(2-chloroethyl)oxamide
Basic Information
CAS
16813-43-7
Multi CAS
No
Molecular Formula
C6H10Cl2N2O2
Molecular Weight
213.060000
Exact Mass
212.011933
SMILES
C(CCl)NC(=O)C(=O)NCCCl
InChI
InChI=1S/C6H10Cl2N2O2/c7-1-3-9-5(11)6(12)10-4-2-8/h1-4H2,(H,9,11)(H,10,12)
InChIKey
MUAULJMMFLVLHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.46
TPSA
58.2
LogP / Solubility
WLOGP
-0.3
MLOGP
-0.27
XLogP3
0.4
Consensus LogP
-0.06
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
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)
-4.24
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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