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CAS 1027160-12-8 α,α,α’,α’-Tetramethyl-5-(dibromomethyl)-1,3-benzenediacetonitrile molecular structure lightbox
CAS RN: 1027160-12-8

α,α,α’,α’-Tetramethyl-5-(dibromomethyl)-1,3-benzenediacetonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251217 50mg Out of stock 15 business days Inquiry
  • Product code: SSC-004043
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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 1027160-12-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1027160-12-8 / 2-[3-(2-cyanopropan-2-yl)-5-(dibromomethyl)phenyl]-2-methylpropanenitrile

alpha,alpha,alpha',alpha'-Tetramethyl-5-(dibromomethyl)-1,3-benzenediacetonitrile | Anastrozole EP Impurity D | 1,3-Benzenediacetonitrile, 5-(dibromomethyl)-alpha1,alpha1,alpha3,alpha3-tetramethyl-

Standard CAS: 1027160-12-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1027160-12-8
Multi CAS
No
Molecular Formula
C15H16Br2N2
Molecular Weight
384.110000
Exact Mass
383.965970
SMILES
CC(C)(C#N)C1=CC(=CC(=C1)C(Br)Br)C(C)(C)C#N
InChI
InChI=1S/C15H16Br2N2/c1-14(2,8-18)11-5-10(13(16)17)6-12(7-11)15(3,4)9-19/h5-7,13H,1-4H3
InChIKey
AJUNARPIHUBZNV-UHFFFAOYSA-N
Synonyms
alpha,alpha,alpha',alpha'-Tetramethyl-5-(dibromomethyl)-1,3-benzenediacetonitrile Anastrozole EP Impurity D 1,3-Benzenediacetonitrile, 5-(dibromomethyl)-alpha1,alpha1,alpha3,alpha3-tetramethyl- MFCD21363444 847A4M9DHM

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
84.32
TPSA
47.58

LogP / Solubility

WLOGP
5.08
MLOGP
4.49
XLogP3
4.5
Consensus LogP
4.69
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.46

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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