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CAS 2450942-48-8 1,4-Benzenedicarboxylic acid, 2,5-bis(pentyloxy)-, 1,4-dihydrazide molecular structure lightbox
CAS RN: 2450942-48-8

1,4-Benzenedicarboxylic acid, 2,5-bis(pentyloxy)-, 1,4-dihydrazide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250829 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2450942-48-8
  • Purity/Analytical Methods: >99.0%
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2450942-48-8 / 2,5-dipentoxybenzene-1,4-dicarbohydrazide

Standard CAS: 2450942-48-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2450942-48-8
Multi CAS
No
Molecular Formula
C18H30N4O4
Molecular Weight
366.500000
Exact Mass
366.226705
SMILES
CCCCCOC1=CC(=C(C=C1C(=O)NN)OCCCCC)C(=O)NN
InChI
InChI=1S/C18H30N4O4/c1-3-5-7-9-25-15-11-14(18(24)22-20)16(26-10-8-6-4-2)12-13(15)17(23)21-19/h11-12H,3-10,19-20H2,1-2H3,(H,21,23)(H,22,24)
InChIKey
QGCGVZAUDYJVLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
4
Molar refractivity
99.79
TPSA
128.7

LogP / Solubility

WLOGP
2.03
MLOGP
1.81
XLogP3
2.5
Consensus LogP
2.11
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-3.51

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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