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CAS 472-41-3 p-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)phenol molecular structure lightbox
CAS RN: 472-41-3

p-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)phenol

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250131 1g In stock Shanghai Inquiry
Batchno.20260305 250mg In stock Shanghai, Shandong Inquiry
Batchno.20251211 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251229 250mg In stock Shanghai Inquiry
  • Product code: SSC-154152
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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: 0.25g
  • 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 472-41-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

472-41-3 / 4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol

Standard CAS: 472-41-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
472-41-3
Multi CAS
No
Molecular Formula
C18H20O2
Molecular Weight
268.300000
Exact Mass
268.146330
InChI
InChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17/h4-11,19H,12H2,1-3H3
InChIKey
KXYDGGNWZUHESZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
80.33
TPSA
29.46

LogP / Solubility

WLOGP
4.26
MLOGP
3.76
XLogP3
4.5
Consensus LogP
4.17
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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