CAS RN: 56934-87-3
3,5-DIMETHYLISATOIC ANHYDRIDE
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.20251117 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS56934-87-3
- Purity/Analytical Methods: >99.0%
56934-87-3 / 6,8-dimethyl-1H-3,1-benzoxazine-2,4-dione
Basic Information
CAS
56934-87-3
Multi CAS
Yes
Molecular Formula
C10H9NO3
Molecular Weight
191.180000
Exact Mass
191.058243
InChI
InChI=1S/C10H9NO3/c1-5-3-6(2)8-7(4-5)9(12)14-10(13)11-8/h3-4H,1-2H3,(H,11,13)
InChIKey
ADHBZSJTJJYPLQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.58
TPSA
63.07
LogP / Solubility
WLOGP
1.1
MLOGP
0.97
XLogP3
1.7
Consensus LogP
1.26
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
N-Hydroxy-4-Methanesulfonylbenzene-1-carboxiMidaMide
- CAS RN: 56935-74-1
- Product Code: SSC-164973
-
-
3-(4-NITROPHENYL)PROPYLAMINE HYDROCHLORIDE
- CAS RN: 56946-60-2
- Product Code: starshine_CAS56946-60-2
- Purity/Analytical method: >99.0%
-
2,4-Dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine
- CAS RN: 56946-65-7
- Product Code: SSC-164982
![CAS 56946-65-7 2,4-Dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/56946-65-7.gif)