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CAS 136545-05-6 6-BROMO-2,2-DIMETHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE molecular structure lightbox
CAS RN: 136545-05-6

6-BROMO-2,2-DIMETHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250113 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-045544
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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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 136545-05-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

136545-05-6 / 6-bromo-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine

Standard CAS: 136545-05-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136545-05-6
Multi CAS
No
Molecular Formula
C10H12BrNO
Molecular Weight
242.110000
Exact Mass
241.010230
SMILES
CC1(CNC2=C(O1)C=CC(=C2)Br)C
InChI
InChI=1S/C10H12BrNO/c1-10(2)6-12-8-5-7(11)3-4-9(8)13-10/h3-5,12H,6H2,1-2H3
InChIKey
WIQSBEQGGVTZRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.34
TPSA
21.26

LogP / Solubility

WLOGP
3.03
MLOGP
2.67
XLogP3
3
Consensus LogP
2.9
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly 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)
-2.04

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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