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CAS 91344-89-7 Methyl 4-oxochroman-8-carboxylate molecular structure lightbox
CAS RN: 91344-89-7

Methyl 4-oxochroman-8-carboxylate

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250209 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251027 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260501 1g In stock Shanghai Inquiry
Batchno.20250129 250mg In stock Shanghai Inquiry
Batchno.20250713 5g In stock Shanghai Inquiry
  • Product code: SSC-204313
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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 91344-89-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

91344-89-7 / methyl 4-oxo-2,3-dihydrochromene-8-carboxylate

Standard CAS: 91344-89-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91344-89-7
Multi CAS
No
Molecular Formula
C11H10O4
Molecular Weight
206.190000
Exact Mass
206.057909
InChI
InChI=1S/C11H10O4/c1-14-11(13)8-4-2-3-7-9(12)5-6-15-10(7)8/h2-4H,5-6H2,1H3
InChIKey
AUPXCMMROYOPBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
52.22
TPSA
52.6

LogP / Solubility

WLOGP
1.44
MLOGP
1.27
XLogP3
1.2
Consensus LogP
1.3
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.96

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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