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CAS 1818314-88-3 BMS-1166 molecular structure lightbox
CAS RN: 1818314-88-3

BMS-1166

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250606 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20250217 1g In stock Shanghai Inquiry
Batchno.20260429 250mg In stock Shanghai Inquiry
Batchno.20251130 25mg In stock Shanghai Inquiry
Batchno.20260421 50mg In stock Shanghai Inquiry
Batchno.20250204 5mg / 10mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-082653
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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 1818314-88-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1818314-88-3 / (2R,4R)-1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid

Standard CAS: 1818314-88-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1818314-88-3
Multi CAS
No
Molecular Formula
C36H33ClN2O7
Molecular Weight
641.100000
Exact Mass
640.197629
SMILES
CC1=C(C=CC=C1C2=CC3=C(C=C2)OCCO3)COC4=C(C=C(C(=C4)OCC5=CC(=CC=C5)C#N)CN6C[C@@H](C[C@@H]6C(=O)O)O)Cl
InChI
InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-29(22)25-8-9-32-35(14-25)44-11-10-43-32)21-46-34-16-33(45-20-24-5-2-4-23(12-24)17-38)27(13-30(34)37)18-39-19-28(40)15-31(39)36(41)42/h2-9,12-14,16,28,31,40H,10-11,15,18-21H2,1H3,(H,41,42)/t28-,31-/m1/s1
InChIKey
QBXVXKRWOVBUDB-GRKNLSHJSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
24
Fraction Csp3
0.28
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
2
Molar refractivity
171.34
TPSA
121.48

LogP / Solubility

WLOGP
6.14
MLOGP
5.45
XLogP3
3.6
Consensus LogP
5.06
Log S (ESOL)
-7.41
Class (ESOL)
Insoluble
Log S (Ali)
-9.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

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