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CAS 142166-01-6 3,4-Dihydro-2H-benzo[1,4]oxazine-7-carboxylic acid methyl ester molecular structure lightbox
CAS RN: 142166-01-6

3,4-Dihydro-2H-benzo[1,4]oxazine-7-carboxylic acid methyl ester

  • Product code: SSC-052924
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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, 10g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 142166-01-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Beijing Inquiry

142166-01-6 / methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate

Standard CAS: 142166-01-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
142166-01-6
Multi CAS
No
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
SMILES
COC(=O)C1=CC2=C(C=C1)NCCO2
InChI
InChI=1S/C10H11NO3/c1-13-10(12)7-2-3-8-9(6-7)14-5-4-11-8/h2-3,6,11H,4-5H2,1H3
InChIKey
QHAIQLAFSPRIGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.77
TPSA
47.56

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
1.5
Consensus LogP
1.3
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-2.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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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