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CAS 1072901-09-7 Pincer ligand molecular structure lightbox
CAS RN: 1072901-09-7

Pincer ligand

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251006 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250330 100mg Out of stock 8-10 business days Inquiry
Batchno.20260315 25mg In stock Shanghai Inquiry
  • Product code: SSC-008752
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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 1072901-09-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1072901-09-7 / 1-N-[2-(dimethylamino)phenyl]-2-N,2-N-dimethylbenzene-1,2-diamine

Pincer ligand | N1-(2-(Dimethylamino)phenyl)-N2,N2-dimethylbenzene-1,2-diamine | Bis[(2-dimethylamino)phenyl]amine

Standard CAS: 1072901-09-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1072901-09-7
Multi CAS
Yes
Molecular Formula
C16H21N3
Molecular Weight
255.360000
Exact Mass
255.173548
SMILES
CN(C)C1=CC=CC=C1NC2=CC=CC=C2N(C)C
InChI
InChI=1S/C16H21N3/c1-18(2)15-11-7-5-9-13(15)17-14-10-6-8-12-16(14)19(3)4/h5-12,17H,1-4H3
InChIKey
JAEMXIQPMPWWNY-UHFFFAOYSA-N
Synonyms
Pincer ligand N1-(2-(Dimethylamino)phenyl)-N2,N2-dimethylbenzene-1,2-diamine Bis[(2-dimethylamino)phenyl]amine N1-[2-(Dimethylamino)phenyl]-N2,N2-dimethylbenzene-1,2-diamine SCHEMBL3196129

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.82
TPSA
18.51

LogP / Solubility

WLOGP
3.56
MLOGP
3.14
XLogP3
3.7
Consensus LogP
3.47
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly 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)
-1.75

Drug-likeness / Medicinal Chemistry

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

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