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CAS 1138245-13-2 Mirogabalin molecular structure lightbox
CAS RN: 1138245-13-2

Mirogabalin

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260307 100mg In stock Shanghai Inquiry
Batchno.20260204 10mg In stock Shanghai Inquiry
Batchno.20250420 1g In stock Shanghai, Wuhan Inquiry
Batchno.20250527 1mg In stock Shanghai Inquiry
Batchno.20250519 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260121 50mg In stock Shanghai Inquiry
Batchno.20250511 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260310 1mg / 5mg / 25mg / 100mg / 1g Confirm by inquiry Shanghai, Shandong, Hebei 5-7 business days Inquiry
  • Product code: SSC-013813
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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 1138245-13-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1138245-13-2 / 2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid

Mirogabalin | 2-((1R,5S,6S)-6-(aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl)acetic acid | Mirogabalina

Standard CAS: 1138245-13-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1138245-13-2
Multi CAS
Yes
Molecular Formula
C12H19NO2
Molecular Weight
209.280000
Exact Mass
209.141579
SMILES
CCC1=C[C@@H]2[C@H](C1)C[C@@]2(CC(=O)O)CN
InChI
InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1
InChIKey
FTBQORVNHOIASH-CKYFFXLPSA-N
Synonyms
Mirogabalin 2-((1R,5S,6S)-6-(aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl)acetic acid Mirogabalina Mirogabaline S7LK2KDM5U

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.33
TPSA
63.32

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
-1.7
Consensus LogP
0.55
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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