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CAS 1208549-68-1 CAY10640 molecular structure lightbox
CAS RN: 1208549-68-1

CAY10640

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260601 100mg Out of stock Inquiry
Batchno.20250927 10mg In stock Shanghai Inquiry
Batchno.20250710 25mg In stock Shanghai Inquiry
Batchno.20250801 50mg In stock Shanghai Inquiry
  • Product code: SSC-022198
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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 1208549-68-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

1208549-68-1 / 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea

CAY10640 | sEH inhibitor-1 | 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea

Standard CAS: 1208549-68-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1208549-68-1
Multi CAS
No
Molecular Formula
C17H20F3N3O3
Molecular Weight
371.350000
Exact Mass
371.145676
SMILES
C1CC1C(=O)N2CCC(CC2)NC(=O)NC3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C17H20F3N3O3/c18-17(19,20)26-14-5-3-12(4-6-14)21-16(25)22-13-7-9-23(10-8-13)15(24)11-1-2-11/h3-6,11,13H,1-2,7-10H2,(H2,21,22,25)
InChIKey
CHOHWMGAQRIMFF-UHFFFAOYSA-N
Synonyms
CAY10640 sEH inhibitor-1 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea CHEMBL1257405 1-(1-(cyclopropanecarbonyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
87.61
TPSA
70.67

LogP / Solubility

WLOGP
3.11
MLOGP
2.76
XLogP3
2.6
Consensus LogP
2.82
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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