CAS RN: 937272-79-2

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Product Availability

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10 package records10 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250212 100mg In stock Shanghai Inquiry
Batchno.20250112 10mg In stock Shanghai Inquiry
Batchno.20250204 1g In stock Shanghai Inquiry
Batchno.20250306 1mg In stock Shanghai Inquiry
Batchno.20260207 250mg In stock Shanghai Inquiry
Batchno.20260612 25mg In stock Shanghai Inquiry
Batchno.20250516 2mg In stock Shanghai Inquiry
Batchno.20250206 50mg In stock Shanghai Inquiry
Batchno.20251214 5mg In stock Shanghai Inquiry
Batchno.20251120 5mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-208172
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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 937272-79-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

937272-79-2 / (16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene

Standard CAS: 937272-79-2 Multi CAS: No

Basic Information

CAS
937272-79-2
Multi CAS
No
Molecular Formula
C28H32N4O3
Molecular Weight
472.600000
Exact Mass
472.247441
SMILES
C1CCN(C1)CCOC2=C3COC/C=C/COCC4=CC(=CC=C4)C5=NC(=NC=C5)NC(=C3)C=C2
InChI
InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+
InChIKey
HWXVIOGONBBTBY-ONEGZZNKSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
136.81
TPSA
68.74

LogP / Solubility

WLOGP
4.96
MLOGP
4.4
XLogP3
3.8
Consensus LogP
4.39
Log S (ESOL)
-6.01
Class (ESOL)
Insoluble
Log S (Ali)
-7.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H360 (33.3%): May damage fertility or the unborn child [Danger Reproductive toxicity] H373 (66.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H410 (66.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P273, P280, P318, P319, P391, P405, and P501

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