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CAS 4430-31-3 OCTAHYDROCOUMARIN molecular structure lightbox
CAS RN: 4430-31-3

OCTAHYDROCOUMARIN

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260101 100g Out of stock Inquiry
Batchno.20260119 1g In stock Shanghai Inquiry
Batchno.20260601 25g In stock Shanghai Inquiry
Batchno.20250802 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-152299
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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: 10g
  • 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 4430-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

4430-31-3 / 3,4,4a,5,6,7,8,8a-octahydrochromen-2-one

Standard CAS: 4430-31-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4430-31-3
Multi CAS
Yes
Molecular Formula
C9H14O2
Molecular Weight
154.210000
Exact Mass
154.099380
InChI
InChI=1S/C9H14O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2
InChIKey
MSFLYJIWLHSQLG-UHFFFAOYSA-N

Physical Properties

Boiling Point
144.00 to 146.00 °C. @ 16.00 mm Hg
Density
1.089-1.096
Physical Description
Liquid Colourless liquid; slight spicy note
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
H-bond acceptors
2
Molar refractivity
41.07
TPSA
26.3

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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