CAS 1374248-77-7 Ubrogepant molecular structure

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CAS RN: 1374248-77-7

Ubrogepant

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6 package records6 with current stock1 grade group

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Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250111	100mg	In stock	Shanghai	Inquiry
Batchno.20250405	10mg	In stock	Shanghai	Inquiry
Batchno.20250605	1g	In stock	Shanghai	Inquiry
Batchno.20260625	250mg	In stock	Shanghai	Inquiry
Batchno.20250612	25mg	In stock	Shanghai	Inquiry
Batchno.20260317	50mg	In stock	Shanghai	Inquiry

Product code: SSC-046967

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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: 0.1g
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 1374248-77-7
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥95%	0 Out of Stock	Hong Kong	Inquiry

1374248-77-7 / (3S)-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide

Standard CAS: 1374248-77-7 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1374248-77-7

Multi CAS

Molecular Formula

C29H26F3N5O3

Molecular Weight

549.500000

Exact Mass

549.198774

SMILES

C[C@@H]1[C@@H](C[C@@H](C(=O)N1CC(F)(F)F)NC(=O)C2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)N=C2)C6=CC=CC=C6

InChI

InChI=1S/C29H26F3N5O3/c1-16-20(17-6-3-2-4-7-17)11-22(26(39)37(16)15-29(30,31)32)35-25(38)19-10-18-12-28(13-23(18)34-14-19)21-8-5-9-33-24(21)36-27(28)40/h2-10,14,16,20,22H,11-13,15H2,1H3,(H,35,38)(H,33,36,40)/t16-,20-,22+,28+/m1/s1

InChIKey

DDOOFTLHJSMHLN-ZQHRPCGSSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.34

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

138.47

TPSA

104.29

LogP / Solubility

WLOGP

3.53

MLOGP

3.15

XLogP3

3.1

Consensus LogP

3.26

Log S (ESOL)

-5.54

Class (ESOL)

Slightly soluble

Log S (Ali)

-6.62

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-6.64

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-3.57

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

8.5

Ubrogepant

Product Availability

Historical Supply Reference

Reference Pack Sizes

1374248-77-7 / (3S)-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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