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CAS 91539-82-1 4-CHLORO-N,N-DIMETHYL-2-QUINAZOLINEMETHANAMINE molecular structure lightbox
CAS RN: 91539-82-1

4-CHLORO-N,N-DIMETHYL-2-QUINAZOLINEMETHANAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251008 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-204770
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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 91539-82-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

91539-82-1 / 4-chloro-N,N-dimethylquinazolin-2-amine

Standard CAS: 91539-82-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91539-82-1
Multi CAS
Yes
Molecular Formula
C10H10CLN3
Molecular Weight
207.660000
Exact Mass
207.056325
InChI
InChI=1S/C10H10ClN3/c1-14(2)10-12-8-6-4-3-5-7(8)9(11)13-10/h3-6H,1-2H3
InChIKey
WSLBXUUJVCFGJH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.88
TPSA
29.02

LogP / Solubility

WLOGP
2.35
MLOGP
2.07
XLogP3
3.1
Consensus LogP
2.51
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

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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