![CAS 134372-47-7 6-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22601328.gif)
CAS RN: 134372-47-7
6-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylic acid
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250926 | 100mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250204 | 1g | In stock | Wuhan | Inquiry | |
| Batchno.20251218 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250509 | 50mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20251018 | 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-042020
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 |
134372-47-7 / 6-chloro-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid
Basic Information
CAS
134372-47-7
Multi CAS
No
Molecular Formula
C9H8ClNO3
Molecular Weight
213.620000
Exact Mass
213.019271
SMILES
C1COC2=C(C=C(C=C2N1)Cl)C(=O)O
InChI
InChI=1S/C9H8ClNO3/c10-5-3-6(9(12)13)8-7(4-5)11-1-2-14-8/h3-4,11H,1-2H2,(H,12,13)
InChIKey
RDIXXNVIEWPZCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.4
TPSA
58.56
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
1.8
Consensus LogP
1.75
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately 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)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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