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CAS 39800-63-0 4,4′-Dibutoxybiphenyl molecular structure lightbox
CAS RN: 39800-63-0

4,4′-Dibutoxybiphenyl

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250705 25g In stock Shanghai Inquiry
Batchno.20250505 5g Out of stock 15 business days Inquiry
  • Product code: SSC-147554
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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: 25g
  • Available purity: ≥98%
  • 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 39800-63-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

39800-63-0 / 1-butoxy-4-(4-butoxyphenyl)benzene

Standard CAS: 39800-63-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39800-63-0
Multi CAS
No
Molecular Formula
C20H26O2
Molecular Weight
298.400000
Exact Mass
298.193280
InChI
InChI=1S/C20H26O2/c1-3-5-15-21-19-11-7-17(8-12-19)18-9-13-20(14-10-18)22-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3
InChIKey
IBCVAKLNEYUUBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
92.68
TPSA
18.46

LogP / Solubility

WLOGP
5.71
MLOGP
5.04
XLogP3
6
Consensus LogP
5.58
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.49

Drug-likeness / Medicinal Chemistry

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

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