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CAS 621-35-2 3′-AMINOACETANILIDE HYDROCHLORIDE molecular structure lightbox
CAS RN: 621-35-2

3′-AMINOACETANILIDE HYDROCHLORIDE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250707 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS621-35-2
  • Purity/Analytical Methods: >99.0%
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621-35-2 / (3-acetamidophenyl)azanium chloride

Standard CAS: 621-35-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
621-35-2
Multi CAS
Yes
Molecular Formula
C8H11CLN2O
Molecular Weight
186.640000
Exact Mass
186.055991
InChI
InChI=1S/C8H10N2O.ClH/c1-6(11)10-8-4-2-3-7(9)5-8;/h2-5H,9H2,1H3,(H,10,11);1H
InChIKey
NALDFXSDXQXFPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
43.29
TPSA
56.74

LogP / Solubility

WLOGP
-2.48
MLOGP
-2.18
XLogP3
-2.48
Consensus LogP
-2.38
Log S (ESOL)
0.26
Class (ESOL)
Highly soluble
Log S (Ali)
0.7
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.06
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.62

Drug-likeness / Medicinal Chemistry

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

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