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CAS 1018502-06-1 3-AMino-4-chloro-N-(3-pyridylMethyl)benzaMide molecular structure lightbox
CAS RN: 1018502-06-1

3-AMino-4-chloro-N-(3-pyridylMethyl)benzaMide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260414 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-002876
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • 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 1018502-06-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

1018502-06-1 / 3-amino-4-chloro-N-(pyridin-3-ylmethyl)benzamide

3-Amino-4-chloro-N-(3-pyridylmethyl)benzamide | 3-Amino-4-chloro-N-(pyridin-3-ylmethyl)benzamide | MFCD10021697

Standard CAS: 1018502-06-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1018502-06-1
Multi CAS
Yes
Molecular Formula
C13H12ClN3O
Molecular Weight
261.700000
Exact Mass
261.066890
SMILES
C1=CC(=CN=C1)CNC(=O)C2=CC(=C(C=C2)Cl)N
InChI
InChI=1S/C13H12ClN3O/c14-11-4-3-10(6-12(11)15)13(18)17-8-9-2-1-5-16-7-9/h1-7H,8,15H2,(H,17,18)
InChIKey
TUTGNXCAERCAHY-UHFFFAOYSA-N
Synonyms
3-Amino-4-chloro-N-(3-pyridylmethyl)benzamide 3-Amino-4-chloro-N-(pyridin-3-ylmethyl)benzamide MFCD10021697 3-amino-4-chloro-N-(3-pyridinylmethyl)benzamide SCHEMBL10323920

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.27
TPSA
68.01

LogP / Solubility

WLOGP
2.25
MLOGP
1.98
XLogP3
1.6
Consensus LogP
1.94
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

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

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