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Screening compounds

Engasertib

Also known as 6-[4-(cis-1-Amino-3-hydroxycyclobutyl)phenyl]-1-ethyl-7-phenyl-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one, 6-[4-(1-amino-3-hydroxycyclobutyl)phenyl]-1-ethyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one, 1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one, 6-[4-(cis-1-amino-3-hydroxycyclobutyl)phenyl]-1-ethyl-7-phenyl-

CAS 1313439-71-2Formula C25H25N3O3Molar mass 415.49 g/mol
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Engasertib chemical structure, C25H25N3O3, CAS 1313439-71-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1313439-71-2
Formula
C25H25N3O3
Molar mass
415.49 g/mol
HS code
293499
Category
Screening compounds

What is Engasertib?

Plain description, key identifiers and synonyms

Engasertib is an investigational drug.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-[4-(1-amino-3-hydroxycyclobutyl)phenyl]-1-ethyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CAS number
1313439-71-2
Molecular formula
C25H25N3O3
UNII
K2US8HW4TQ
InChIKey
BPHCAPAOSHZYJY-UHFFFAOYSA-N
InChI
InChI=1S/C25H25N3O3/c1-2-28-21-12-20(16-6-4-3-5-7-16)23(27-24(21)31-15-22(28)30)17-8-10-18(11-9-17)25(26)13-19(29)14-25/h3-12,19,29H,2,13-15,26H2,1H3
SMILES (canonical and isomeric)
CCN1C(=O)COC2=C1C=C(C(=N2)C3=CC=C(C=C3)C4(CC(C4)O)N)C5=CC=CC=C5

Synonyms

  • 6-[4-(cis-1-Amino-3-hydroxycyclobutyl)phenyl]-1-ethyl-7-phenyl-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one
  • 6-[4-(1-amino-3-hydroxycyclobutyl)phenyl]-1-ethyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
  • 1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one, 6-[4-(cis-1-amino-3-hydroxycyclobutyl)phenyl]-1-ethyl-7-phenyl-
  • 1-ethyl-7-phenyl-6-{4-[(1s,3s)-1-amino-3-hydroxycyclobutyl]phenyl}-1H,2H,3H-pyrido[2,3-b][1,4]oxazin-2-one
  • 6-(4-((1s,3s)-1-amino-3-hydroxycyclobutyl)phenyl)-1-ethyl-7-phenyl-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
415.49 g/molcalc.
Exact mass
415.1896 Dacalc.
LogP (octanol/water)
3.47calc.
Topological polar surface area
88.68 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
31calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.28calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1COc2nc(-c3ccc(C4CCC4)cc3)c(-c3ccccc3)cc2N1

O=C1COc2nc(-c3ccc(C4CCC4)cc3)c(-c3ccccc3)cc2N1

5 rings, 27 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Engasertib suppliers

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Engasertib price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Engasertib is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Engasertib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Engasertib, based on the data on this page

What is Engasertib?

Engasertib is an investigational drug.

What is the CAS number of Engasertib?

The CAS registry number of Engasertib is 1313439-71-2.

What is the molecular formula and weight of Engasertib?

The molecular formula of Engasertib is C25H25N3O3 and its molar mass is 415.49 g/mol.

What is Engasertib used for?

Known uses and roles of Engasertib include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Engasertib hazardous?

No GHS hazard classification for Engasertib is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Engasertib?

Engasertib is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Engasertib?

Post a free request on CompoundList and suppliers of Engasertib will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Engasertib?

Suppliers quote Engasertib on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Engasertib

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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