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CAS 1211527-07-9 7-BroMobenzo[d]oxazol-2-aMine molecular structure lightbox
CAS RN: 1211527-07-9

7-BroMobenzo[d]oxazol-2-aMine

  • Product code: SSC-022621
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1211527-07-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry

1211527-07-9 / 7-bromo-1,3-benzoxazol-2-amine

7-bromo-1,3-benzoxazol-2-amine | DTXSID10856439 | RefChem:310337

Standard CAS: 1211527-07-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1211527-07-9
Multi CAS
No
Molecular Formula
C7H5BrN2O
Molecular Weight
213.030000
Exact Mass
211.958530
SMILES
C1=CC2=C(C(=C1)Br)OC(=N2)N
InChI
InChI=1S/C7H5BrN2O/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKey
QVSLAPQMRBWVBL-UHFFFAOYSA-N
Synonyms
7-bromo-1,3-benzoxazol-2-amine DTXSID10856439 RefChem:310337 DTXCID30807180 838-322-6

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.12
TPSA
52.05

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.1
Consensus LogP
2.06
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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