![CAS 1380087-89-7 2-[6-(4-Chloro-phenyl)-1-Methyl-4H-3-oxa-2,5-diaza-benzo[e]azulen-4-yl]-acetaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380087-89-7.gif)
CAS RN: 1380087-89-7
2-[6-(4-Chloro-phenyl)-1-Methyl-4H-3-oxa-2,5-diaza-benzo[e]azulen-4-yl]-acetaMide
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.20250924 | 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-047969
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 | Hong Kong | Inquiry |
1380087-89-7 / 2-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide
Basic Information
CAS
1380087-89-7
Multi CAS
No
Molecular Formula
C20H16ClN3O2
Molecular Weight
365.800000
Exact Mass
365.093105
SMILES
CC1=NOC2=C1C3=CC=CC=C3C(=N[C@H]2CC(=O)N)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1
InChIKey
GCWIQUVXWZWCLE-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
17
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
100.32
TPSA
81.48
LogP / Solubility
WLOGP
4.07
MLOGP
3.6
XLogP3
3
Consensus LogP
3.56
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 1380088-03-8 1-[3-[1-([1,1′-Biphenyl]-3-ylMethyl)-1H-1,2,3-triazol-5-yl]phenyl]-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4-aMine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-[3-[1-([1,1′-Biphenyl]-3-ylMethyl)-1H-1,2,3-triazol-5-yl]phenyl]-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4-aMine
- CAS RN: 1380088-03-8
- Product Code: starshine_CAS1380088-03-8
- Purity/Analytical method: >99.0%
-
(4-BROMO-3-METHYLISOXAZOL-5-YL)METHYL ACETATE
- CAS RN: 1380089-33-7
- Product Code: starshine_CAS1380089-33-7
- Purity/Analytical method: >99.0%
-
5-(benzyloxy)-1-hydroxy-2-(hydroxyMethyl)pyridin-4(1H)-one
- CAS RN: 1380109-77-2
- Product Code: starshine_CAS1380109-77-2
- Purity/Analytical method: >99.0%
-
6-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine
- CAS RN: 1380160-28-0
- Product Code: starshine_CAS1380160-28-0
- Purity/Analytical method: >99.0%
-
6-fluoro-1-methyl-1H-pyrrolo[2,3-b]pyridine
- CAS RN: 1380161-18-1
- Product Code: SSC-047972
-
![CAS 1380088-03-8 1-[3-[1-([1,1′-Biphenyl]-3-ylMethyl)-1H-1,2,3-triazol-5-yl]phenyl]-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380088-03-8.gif)
![CAS 1380160-28-0 6-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380160-28-0.gif)
![CAS 1380161-18-1 6-fluoro-1-methyl-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380161-18-1.gif)
