![CAS 1035229-33-4 5-(benzyloxy)-8-(2-chloroacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1035229-33-4.gif)
CAS RN: 1035229-33-4
5-(benzyloxy)-8-(2-chloroacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251216 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-005090
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 |
1035229-33-4 / 8-(2-chloroacetyl)-5-phenylmethoxy-4H-1,4-benzoxazin-3-one
5-(Benzyloxy)-8-(2-chloroacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one | MFCD22575152 | 8-(2-chloroacetyl)-5-phenylmethoxy-4H-1,4-benzoxazin-3-one
Basic Information
CAS
1035229-33-4
Multi CAS
No
Molecular Formula
C17H14ClNO4
Molecular Weight
331.700000
Exact Mass
331.061136
SMILES
C1C(=O)NC2=C(C=CC(=C2O1)C(=O)CCl)OCC3=CC=CC=C3
InChI
InChI=1S/C17H14ClNO4/c18-8-13(20)12-6-7-14(16-17(12)23-10-15(21)19-16)22-9-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,19,21)
InChIKey
BZZOXWZXEQFUKK-UHFFFAOYSA-N
Synonyms
5-(Benzyloxy)-8-(2-chloroacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
MFCD22575152
8-(2-chloroacetyl)-5-phenylmethoxy-4H-1,4-benzoxazin-3-one
SCHEMBL1559916
DTXSID70728582
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
86.39
TPSA
64.63
LogP / Solubility
WLOGP
3.02
MLOGP
2.67
XLogP3
2.6
Consensus LogP
2.76
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 1035229-35-6 8-(2-aMinoethyl)-5-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
8-(2-aMinoethyl)-5-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one hydrochloride
- CAS RN: 1035229-35-6
- Product Code: starshine_CAS1035229-35-6
- Purity/Analytical method: >99.0%
-
Methyl 4-(2-broMophenyl)-2,4-dioxobutanoate
- CAS RN: 1035235-10-9
- Product Code: SSC-005093
-
Methyl 5-(2-broMophenyl)-1H-pyrazol-3-carboxylate
- CAS RN: 1035235-11-0
- Product Code: SSC-005094
-
tert-Butyl 5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
- CAS RN: 1035235-26-7
- Product Code: SSC-005095
-
tert-butyl-4-bromoisoindoline-2-carboxylate
- CAS RN: 1035235-27-8
- Product Code: SSC-005096
-
N-BOC-isoindoline-4-boronic acid, pinacol ester
- CAS RN: 1035235-28-9
- Product Code: SSC-005097
![CAS 1035229-35-6 8-(2-aMinoethyl)-5-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1035229-35-6.gif)
