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CAS 101-12-2 3,3′-diaminobenzanilide molecular structure lightbox
CAS RN: 101-12-2

3,3′-diaminobenzanilide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250314 1g Out of stock Inquiry
  • Product code: SSC-001806
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 101-12-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

101-12-2 / 3-amino-N-(3-aminophenyl)benzamide

Benzamide, 3-amino-N-(3-aminophenyl)- | EINECS 202-917-3 | NSC 13968

Standard CAS: 101-12-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101-12-2
Multi CAS
Yes
Molecular Formula
C13H13N3O
Molecular Weight
227.260000
Exact Mass
227.105862
SMILES
C1=CC(=CC(=C1)N)C(=O)NC2=CC=CC(=C2)N
InChI
InChI=1S/C13H13N3O/c14-10-4-1-3-9(7-10)13(17)16-12-6-2-5-11(15)8-12/h1-8H,14-15H2,(H,16,17)
InChIKey
OMIOAPDWNQGXED-UHFFFAOYSA-N
Synonyms
Benzamide, 3-amino-N-(3-aminophenyl)- EINECS 202-917-3 NSC 13968 Benzanilide, 3,3'-diamino- DTXSID7059226

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
69.66
TPSA
81.14

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
1.3
Consensus LogP
1.75
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

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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