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CAS 1375541-21-1 Ubrogepant Intermediate molecular structure lightbox
CAS RN: 1375541-21-1

Ubrogepant Intermediate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260118 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-047298
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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 1375541-21-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1375541-21-1 / (3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid

Standard CAS: 1375541-21-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1375541-21-1
Multi CAS
No
Molecular Formula
C15H11N3O3
Molecular Weight
281.270000
Exact Mass
281.080041
SMILES
C1C2=C(C[C@]13C4=C(NC3=O)N=CC=C4)N=CC(=C2)C(=O)O
InChI
InChI=1S/C15H11N3O3/c19-13(20)9-4-8-5-15(6-11(8)17-7-9)10-2-1-3-16-12(10)18-14(15)21/h1-4,7H,5-6H2,(H,19,20)(H,16,18,21)/t15-/m0/s1
InChIKey
JZRARRAPRCNVSS-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.15
TPSA
92.18

LogP / Solubility

WLOGP
1.16
MLOGP
1.03
XLogP3
0.4
Consensus LogP
0.86
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P271, P304+P340, P319, P403+P233, P405, and P501

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