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CAS 76275-14-4 9,10-Dibutoxyanthracene molecular structure lightbox
CAS RN: 76275-14-4

9,10-Dibutoxyanthracene

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250708 10g In stock Shanghai Inquiry
Batchno.20250422 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260422 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20260427 50mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batchno.20250114 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-185712
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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: 5g
  • 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 76275-14-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

76275-14-4 / 9,10-dibutoxyanthracene

Standard CAS: 76275-14-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
76275-14-4
Multi CAS
No
Molecular Formula
C22H26O2
Molecular Weight
322.400000
Exact Mass
322.193280
InChI
InChI=1S/C22H26O2/c1-3-5-15-23-21-17-11-7-9-13-19(17)22(24-16-6-4-2)20-14-10-8-12-18(20)21/h7-14H,3-6,15-16H2,1-2H3
InChIKey
KSMGAOMUPSQGTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
14
Fraction Csp3
0.36
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
102.26
TPSA
18.46

LogP / Solubility

WLOGP
6.35
MLOGP
5.6
XLogP3
6.9
Consensus LogP
6.28
Log S (ESOL)
-5.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.99
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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