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CAS 5465-33-8 2-CHLORO-4-METHYL-6-NITRO-PHENYLAMINE molecular structure lightbox
CAS RN: 5465-33-8

2-CHLORO-4-METHYL-6-NITRO-PHENYLAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251129 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5465-33-8
  • Purity/Analytical Methods: >99.0%
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5465-33-8 / 2-chloro-4-methyl-6-nitroaniline

Standard CAS: 5465-33-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5465-33-8
Multi CAS
Yes
Molecular Formula
C7H7CLN2O2
Molecular Weight
186.590000
Exact Mass
186.019605
InChI
InChI=1S/C7H7ClN2O2/c1-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,9H2,1H3
InChIKey
UGXUJYWOKLTNET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.26
TPSA
69.16

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
2.6
Consensus LogP
2.21
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

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

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