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CAS 460732-38-1 2,5-bis(hexyloxy)terephthalic dihydrazide molecular structure lightbox
CAS RN: 460732-38-1

2,5-bis(hexyloxy)terephthalic dihydrazide

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250131 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260513 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260117 1g In stock Shanghai Inquiry
Batchno.20260614 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS460732-38-1
  • Purity/Analytical Methods: >99.0%
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460732-38-1 / 2,5-dihexoxybenzene-1,4-dicarbohydrazide

Standard CAS: 460732-38-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
460732-38-1
Multi CAS
No
Molecular Formula
C20H34N4O4
Molecular Weight
394.500000
Exact Mass
394.258006
InChI
InChI=1S/C20H34N4O4/c1-3-5-7-9-11-27-17-13-16(20(26)24-22)18(14-15(17)19(25)23-21)28-12-10-8-6-4-2/h13-14H,3-12,21-22H2,1-2H3,(H,23,25)(H,24,26)
InChIKey
DEOMPZYUKGOIII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
14
H-bond acceptors
6
H-bond donors
4
Molar refractivity
109.02
TPSA
128.7

LogP / Solubility

WLOGP
2.81
MLOGP
2.5
XLogP3
3.6
Consensus LogP
2.97
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.24
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.13

Drug-likeness / Medicinal Chemistry

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

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