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CAS 1230487-00-9 BAF-312(SiponiMod) molecular structure lightbox
CAS RN: 1230487-00-9

BAF-312(SiponiMod)

Product Availability

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8 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250619 100mg In stock Shanghai Inquiry
Batchno.20251112 10mg In stock Shanghai Inquiry
Batchno.20250329 1g Out of stock Inquiry
Batchno.20250923 250mg In stock Shanghai Inquiry
Batchno.20260601 25mg In stock Shanghai Inquiry
Batchno.20250108 50mg In stock Shanghai Inquiry
Batchno.20250831 5mg In stock Shanghai Inquiry
Batchno.20250609 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai, Guangdong 5-7 business days Inquiry
  • Product code: SSC-026723
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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 1230487-00-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1230487-00-9 / 1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidine-3-carboxylic acid

Standard CAS: 1230487-00-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
1230487-00-9
Multi CAS
No
Molecular Formula
C29H35F3N2O3
Molecular Weight
516.600000
Exact Mass
516.259977
SMILES
CCC1=C(C=CC(=C1)/C(=N/OCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)/C)CN4CC(C4)C(=O)O
InChI
InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+
InChIKey
KIHYPELVXPAIDH-HNSNBQBZSA-N

Physical Properties

Melting Point
111-112

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
136.49
TPSA
62.13

LogP / Solubility

WLOGP
6.77
MLOGP
6
XLogP3
4.8
Consensus LogP
5.86
Log S (ESOL)
-6.96
Class (ESOL)
Insoluble
Log S (Ali)
-8.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.72
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.06

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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