CAS RN: 1198-96-5
2,2-DIMETHYLCHROMANE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260529 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: SSC-020557
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1198-96-5 / 2,2-dimethyl-3,4-dihydrochromene
2,2-Dimethylchroman | 2H-1-Benzopyran, 3,4-dihydro-2,2-dimethyl- | Chroman, 2,2-dimethyl-
Basic Information
CAS
1198-96-5
Multi CAS
No
Molecular Formula
C11H14O
Molecular Weight
162.230000
Exact Mass
162.104465
SMILES
CC1(CCC2=CC=CC=C2O1)C
InChI
InChI=1S/C11H14O/c1-11(2)8-7-9-5-3-4-6-10(9)12-11/h3-6H,7-8H2,1-2H3
InChIKey
MITIYLBEZOKYLX-UHFFFAOYSA-N
Synonyms
2,2-Dimethylchroman
2H-1-Benzopyran, 3,4-dihydro-2,2-dimethyl-
Chroman, 2,2-dimethyl-
DTXSID00152598
NSC 63863
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
1
Molar refractivity
49.47
TPSA
9.23
LogP / Solubility
WLOGP
2.79
MLOGP
2.45
XLogP3
2.9
Consensus LogP
2.71
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 1199-04-8 6-BROMO-3,4-DIHYDRO-BENZO[E][1,3]OXAZIN-2-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1199-04-8.gif)