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CAS 1644670-37-0 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoicacid molecular structure lightbox
CAS RN: 1644670-37-0

4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoicacid

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250618 100mg In stock Shanghai Inquiry
Batchno.20250505 10mg In stock Shanghai Inquiry
Batchno.20250510 1mg In stock Shanghai Inquiry
Batchno.20251205 250mg In stock Shanghai Inquiry
Batchno.20251014 25mg In stock Shanghai Inquiry
Batchno.20260222 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250911 5mg In stock Shanghai Inquiry
Batchno.20250207 5mg / 25mg Out of stock 15 business days Inquiry
  • Product code: SSC-071913
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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 1644670-37-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1644670-37-0 / 4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid

Standard CAS: 1644670-37-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1644670-37-0
Multi CAS
No
Molecular Formula
C25H30N2O4
Molecular Weight
422.500000
Exact Mass
422.220557
SMILES
CCO[C@H]1CCN([C@@H](C1)C2=CC=C(C=C2)C(=O)O)CC3=C(C=C(C4=C3C=CN4)C)OC
InChI
InChI=1S/C25H30N2O4/c1-4-31-19-10-12-27(22(14-19)17-5-7-18(8-6-17)25(28)29)15-21-20-9-11-26-24(20)16(2)13-23(21)30-3/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,28,29)/t19-,22-/m0/s1
InChIKey
RENRQMCACQEWFC-UGKGYDQZSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
15
Fraction Csp3
0.4
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
120.79
TPSA
74.79

LogP / Solubility

WLOGP
4.93
MLOGP
4.36
XLogP3
1.8
Consensus LogP
3.7
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.58
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)
-1.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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