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CAS 1387560-01-1 Umibecestat molecular structure lightbox
CAS RN: 1387560-01-1

Umibecestat

Product Availability

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8 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251125 100mg In stock Shanghai Inquiry
Batchno.20250718 10mg In stock Shanghai Inquiry
Batchno.20260304 1mg In stock Shanghai Inquiry
Batchno.20250201 1mg / 5mg Out of stock 8-10 business days Inquiry
Batchno.20250829 250mg In stock Shanghai Inquiry
Batchno.20260427 25mg In stock Shanghai Inquiry
Batchno.20260106 50mg In stock Shanghai Inquiry
Batchno.20260613 5mg In stock Shanghai Inquiry
  • Product code: SSC-048692
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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: 0.25g
  • 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 1387560-01-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1387560-01-1 / N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide

Standard CAS: 1387560-01-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1387560-01-1
Multi CAS
No
Molecular Formula
C19H15ClF7N5O2
Molecular Weight
513.800000
Exact Mass
513.080250
SMILES
C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)C2=C(C=CC(=N2)NC(=O)C3=C(C=C(C=N3)C(F)(F)F)Cl)F
InChI
InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1
InChIKey
PSBBWFNMHDUTRH-DLBZAZTESA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
105.78
TPSA
102.49

LogP / Solubility

WLOGP
4.46
MLOGP
3.97
XLogP3
2.9
Consensus LogP
3.78
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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