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CAS 10410-29-4 6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid molecular structure lightbox
CAS RN: 10410-29-4

6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid

  • Product code: SSC-005868
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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: ≥95%
  • 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 10410-29-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

10410-29-4 / 6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid

6-Methoxy-3-methyl-1-benzofuran-2-carboxylic acid | DTXSID40346136 | RefChem:308773

Standard CAS: 10410-29-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10410-29-4
Multi CAS
Yes
Molecular Formula
C11H10O4
Molecular Weight
206.190000
Exact Mass
206.057909
SMILES
CC1=C(OC2=C1C=CC(=C2)OC)C(=O)O
InChI
InChI=1S/C11H10O4/c1-6-8-4-3-7(14-2)5-9(8)15-10(6)11(12)13/h3-5H,1-2H3,(H,12,13)
InChIKey
CQZZSFNTQLCLJF-UHFFFAOYSA-N
Synonyms
6-Methoxy-3-methyl-1-benzofuran-2-carboxylic acid DTXSID40346136 RefChem:308773 DTXCID30297209 6-Methoxy-3-methyl-benzofuran-2-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.46
TPSA
59.67

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.5
Consensus LogP
2.37
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly 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)
-2.24

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]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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