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CAS 1481677-78-4 UNC-0642 molecular structure lightbox
CAS RN: 1481677-78-4

UNC-0642

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250113 100mg Out of stock Inquiry
Batchno.20250727 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20260106 1mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250409 50mg In stock Shanghai Inquiry
Batchno.20251228 5mg In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-058572
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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: 0.1g
  • 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 1481677-78-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

1481677-78-4 / 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

Standard CAS: 1481677-78-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1481677-78-4
Multi CAS
No
Molecular Formula
C29H44F2N6O2
Molecular Weight
546.700000
Exact Mass
546.349381
SMILES
CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F
InChI
InChI=1S/C29H44F2N6O2/c1-21(2)36-14-7-22(8-15-36)32-27-23-19-25(38-3)26(39-18-6-13-35-11-4-5-12-35)20-24(23)33-28(34-27)37-16-9-29(30,31)10-17-37/h19-22H,4-18H2,1-3H3,(H,32,33,34)
InChIKey
RNAMYOYQYRYFQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
10
Fraction Csp3
0.72
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
1
Molar refractivity
151.62
TPSA
65.99

LogP / Solubility

WLOGP
5.02
MLOGP
4.46
XLogP3
5.7
Consensus LogP
5.06
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.58
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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