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CAS 73688-85-4 4-(4-Dimethylaminophenylazo)phenylarsonic Acid Hydrochloride molecular structure lightbox
CAS RN: 73688-85-4

4-(4-Dimethylaminophenylazo)phenylarsonic Acid Hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260331 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: ICTD0659
  • Purity/Analytical Methods: >95.0%(T)
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73688-85-4 / [4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]arsonic acid;hydrochloride

Standard CAS: 73688-85-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73688-85-4
Multi CAS
Yes
Molecular Formula
C14H17ASCLN3O3
Molecular Weight
385.680000
Exact Mass
385.017439
InChI
InChI=1S/C14H16AsN3O3.ClH/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(4-6-12)15(19,20)21;/h3-10H,1-2H3,(H2,19,20,21);1H
InChIKey
PVYGBUNBLMIFRV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
89.15
TPSA
85.49

LogP / Solubility

WLOGP
2.15
MLOGP
1.91
XLogP3
2.15
Consensus LogP
2.07
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55

Drug-likeness / Medicinal Chemistry

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

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