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CAS 4371-34-0 [1,1′-Biphenyl]-2,2′,5,5′-tetrol, 4,4′-dimethyl- molecular structure lightbox
CAS RN: 4371-34-0

[1,1′-Biphenyl]-2,2′,5,5′-tetrol, 4,4′-dimethyl-

  • Product code: SSC-151812
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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 4371-34-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

4371-34-0 / 2-(2,5-dihydroxy-4-methylphenyl)-5-methylbenzene-1,4-diol

Standard CAS: 4371-34-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4371-34-0
Multi CAS
Yes
Molecular Formula
C14H14O4
Molecular Weight
246.260000
Exact Mass
246.089209
InChI
InChI=1S/C14H14O4/c1-7-3-13(17)9(5-11(7)15)10-6-12(16)8(2)4-14(10)18/h3-6,15-18H,1-2H3
InChIKey
DSVRCBOSZSZMRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
4
Molar refractivity
68.01
TPSA
80.92

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
2.9
Consensus LogP
2.72
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly 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)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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