![CAS 5627-73-6 5-chloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5627-73-6.gif)
CAS RN: 5627-73-6
5-chloro-2-methyl-4H-benzo[d][1,3]oxazin-4-one
- Product code: SSC-164251
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 |
5627-73-6 / 5-chloro-2-methyl-3,1-benzoxazin-4-one
Basic Information
CAS
5627-73-6
Multi CAS
No
Molecular Formula
C9H6CLNO2
Molecular Weight
195.600000
Exact Mass
195.008706
InChI
InChI=1S/C9H6ClNO2/c1-5-11-7-4-2-3-6(10)8(7)9(12)13-5/h2-4H,1H3
InChIKey
HONXTRAMSCAREG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
3
Molar refractivity
50.03
TPSA
43.1
LogP / Solubility
WLOGP
2.15
MLOGP
1.89
XLogP3
1.9
Consensus LogP
1.98
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
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
-
-
-
UNCARINE C
- CAS RN: 5629-60-7
- Product Code: starshine_CAS5629-60-7
- Purity/Analytical method: >99.0%
-
N-(4-dimethylaminophenyl)-2-(5-methyl-2-propan-2-yl-phenoxy)acetamide
- CAS RN: 5629-98-1
- Product Code: SSC-164272
-
-
1-[4,4-bis(4-fluorophenyl)butyl]piperazine
- CAS RN: 5631-35-6
- Product Code: starshine_CAS5631-35-6
- Purity/Analytical method: >99.0%
![CAS 5631-35-6 1-[4,4-bis(4-fluorophenyl)butyl]piperazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5631-35-6.gif)