CAS RN: 21021-99-8
o-Oxanisidide
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.20251121 | 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS21021-99-8
- Purity/Analytical Methods: >99.0%
21021-99-8 / N,N'-bis(2-methoxyphenyl)oxamide
Basic Information
CAS
21021-99-8
Multi CAS
No
Molecular Formula
C16H16N2O4
Molecular Weight
300.310000
Exact Mass
300.111007
SMILES
COC1=CC=CC=C1NC(=O)C(=O)NC2=CC=CC=C2OC
InChI
InChI=1S/C16H16N2O4/c1-21-13-9-5-3-7-11(13)17-15(19)16(20)18-12-8-4-6-10-14(12)22-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKey
GPOWVQMIFHWEGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
83.25
TPSA
76.66
LogP / Solubility
WLOGP
2.28
MLOGP
2.02
XLogP3
2.9
Consensus LogP
2.4
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
1-(4-Bromo-3-methylphenyl)propan-1-one
- CAS RN: 210228-01-6
- Product Code: starshine_CAS210228-01-6
- Purity/Analytical method: >99.0%
-
-
Carbamic acid, (3-aminopentyl)-, 1,1-dimethylethyl ester (9CI)
- CAS RN: 210240-75-8
- Product Code: starshine_CAS210240-75-8
- Purity/Analytical method: >99.0%
-
-
3-METHYLCYTIDINE METHOSULFATE
- CAS RN: 21028-20-6
- Product Code: starshine_CAS21028-20-6
- Purity/Analytical method: >99.0%
