![CAS 23062-91-1 3,6A,11,14-TETRAHYDRO-9-METHOXY-2-METHYL-(12H)-ISOQUINO[1,2-B]PYRROLO[3,2-F][1,3]BENZOXAZINE-1-CARBOXYLIC ACID, ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/23062-91-1.gif)
CAS RN: 23062-91-1
3,6A,11,14-TETRAHYDRO-9-METHOXY-2-METHYL-(12H)-ISOQUINO[1,2-B]PYRROLO[3,2-F][1,3]BENZOXAZINE-1-CARBOXYLIC ACID, ETHYL ESTER
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-112098
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
23062-91-1 / ethyl 17-methoxy-6-methyl-12-oxa-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate
Basic Information
CAS
23062-91-1
Multi CAS
No
Molecular Formula
C23H24N2O4
Molecular Weight
392.400000
Exact Mass
392.173607
SMILES
CCOC(=O)C1=C(NC2=C1C3=C(C=C2)OC4C5=C(CCN4C3)C=C(C=C5)OC)C
InChI
InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
InChIKey
VDDUJINYXKGZLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
109.47
TPSA
63.79
LogP / Solubility
WLOGP
4.11
MLOGP
3.64
XLogP3
3.9
Consensus LogP
3.88
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 230637-04-4 2-BroMo-5-MethyliMidazo[2,1-b][1,3,4]thiadiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/230637-04-4.gif)
