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CAS 199327-59-8 Gefitinib Impurity 14 molecular structure lightbox
CAS RN: 199327-59-8

Gefitinib Impurity 14

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260205 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-093856
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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 199327-59-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

199327-59-8 / 4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]morpholine

Standard CAS: 199327-59-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199327-59-8
Multi CAS
No
Molecular Formula
C16H20ClN3O3
Molecular Weight
337.800000
Exact Mass
337.119319
SMILES
COC1=C(C=C2C(=C1)N=CN=C2Cl)OCCCN3CCOCC3
InChI
InChI=1S/C16H20ClN3O3/c1-21-14-10-13-12(16(17)19-11-18-13)9-15(14)23-6-2-3-20-4-7-22-8-5-20/h9-11H,2-8H2,1H3
InChIKey
WCABKKDNOBDPHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
88.47
TPSA
56.71

LogP / Solubility

WLOGP
2.39
MLOGP
2.12
XLogP3
2.5
Consensus LogP
2.34
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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