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CAS 95-81-8 2-Chloro-5-methylaniline molecular structure lightbox
CAS RN: 95-81-8

2-Chloro-5-methylaniline

  • Product code: SSC-210200
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 1000g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 95-81-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 4 In Stock Beijing Inquiry
1g >97% 4 In Stock Beijing Inquiry
5g -- 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g -- 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g -- 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry
100g -- 0 Out of Stock Beijing Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry
1000g -- 0 Out of Stock Shanghai Inquiry

95-81-8 / 2-chloro-5-methylaniline

Standard CAS: 95-81-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
95-81-8
Multi CAS
Yes
Molecular Formula
C7H8CLN
Molecular Weight
141.600000
Exact Mass
141.034527
InChI
InChI=1S/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
InChIKey
HPSCXFOQUFPEPE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.6
TPSA
26.02

LogP / Solubility

WLOGP
2.23
MLOGP
1.96
XLogP3
2.5
Consensus LogP
2.23
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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

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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