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CAS 723291-67-6 3-amino-4-chloro-N-isobutylbenzamide molecular structure lightbox
CAS RN: 723291-67-6

3-amino-4-chloro-N-isobutylbenzamide

  • Product code: SSC-181868
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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: 0.25g, 0.1g, 1g
  • Available purity: >95%
  • 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 723291-67-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 3 In Stock Beijing Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

723291-67-6 / 3-amino-4-chloro-N-(2-methylpropyl)benzamide

Standard CAS: 723291-67-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
723291-67-6
Multi CAS
No
Molecular Formula
C11H15CLN2O
Molecular Weight
226.700000
Exact Mass
226.087291
InChI
InChI=1S/C11H15ClN2O/c1-7(2)6-14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKey
XQMAOLZOUVKKEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.04
TPSA
55.12

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
2.3
Consensus LogP
2.21
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly 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)
-2.46

Drug-likeness / Medicinal Chemistry

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

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