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CAS 1197944-26-5 Methyl 7-methoxy-2-methyl-1,3-benzoxazole-5-carboxylate molecular structure lightbox
CAS RN: 1197944-26-5

Methyl 7-methoxy-2-methyl-1,3-benzoxazole-5-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250329 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-020525
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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 1197944-26-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 5 In Stock Shenzhen Inquiry
0.25g ≥97% 5 In Stock Shanghai Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 5 In Stock Beijing Inquiry

1197944-26-5 / methyl 7-methoxy-2-methyl-1,3-benzoxazole-5-carboxylate

methyl 7-methoxy-2-methyl-1,3-benzoxazole-5-carboxylate | methyl 7-methoxy-2-methylbenzoxazole-5-carboxylate | MFCD14584796

Standard CAS: 1197944-26-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1197944-26-5
Multi CAS
No
Molecular Formula
C11H11NO4
Molecular Weight
221.210000
Exact Mass
221.068808
SMILES
CC1=NC2=C(O1)C(=CC(=C2)C(=O)OC)OC
InChI
InChI=1S/C11H11NO4/c1-6-12-8-4-7(11(13)15-3)5-9(14-2)10(8)16-6/h4-5H,1-3H3
InChIKey
MSVIYBOHETWCGT-UHFFFAOYSA-N
Synonyms
methyl 7-methoxy-2-methyl-1,3-benzoxazole-5-carboxylate methyl 7-methoxy-2-methylbenzoxazole-5-carboxylate MFCD14584796 Methyl 7-methoxy-2-methylbenzo[d]oxazole-5-carboxylate SCHEMBL1144796

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
56.64
TPSA
61.56

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
2
Consensus LogP
1.88
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.7

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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