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Screening compounds

Afn-1252

Also known as afabicin desphosphono, API 1252, DEBIO-1452

CAS 620175-39-5Formula C22H21N3O3Molar mass 375.43 g/mol
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Afn-1252 chemical structure, C22H21N3O3, CAS 620175-39-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
620175-39-5
Formula
C22H21N3O3
Molar mass
375.43 g/mol
HS code
293499
Category
Screening compounds

What is Afn-1252?

Plain description, key identifiers and synonyms

Afn-1252 is a chemical substance with the molecular formula C22H21N3O3 and a molar mass of 375.43 g/mol. Its CAS registry number is 620175-39-5. The IUPAC name is (E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CAS number
620175-39-5 CAS number cross-checked
Molecular formula
C22H21N3O3
UNII
T3O718IKKM
InChIKey
QXTWSUQCXCWEHF-JXMROGBWSA-N
InChI
InChI=1S/C22H21N3O3/c1-14-17-5-3-4-6-18(17)28-19(14)13-25(2)21(27)10-7-15-11-16-8-9-20(26)24-22(16)23-12-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,24,26)/b10-7+
Canonical SMILES
Cc1c(CN(C)C(=O)C=Cc2cnc3c(c2)CCC(=O)N3)oc2ccccc12
Isomeric SMILES
CC1=C(OC2=CC=CC=C12)CN(C)C(=O)/C=C/C3=CC4=C(NC(=O)CC4)N=C3

Synonyms

  • afabicin desphosphono
  • API 1252
  • DEBIO-1452
  • DEBIO1452
  • 2-Propenamide, N-methyl-N-((3-methyl-2-benzofuranyl)methyl)-3-(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-3-yl)-, (2E)-
  • (2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
  • (2E)-N-methyl-N-((3-methyl-1-benzofuran-2-yl)methyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
  • 2-Propenamide, N-methyl-N-[(3-methyl-2-benzofuranyl)methyl]-3-(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-3-yl)-, (2E)-
  • AFN 1252
  • Debio 1452
  • (E)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
  • AFN-1252(Debio 1452)
  • (E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
  • API-1252, Debio 1452
  • AFN-1252(Debio 1452)?
  • (E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)
  • (E)-N-methyl-N-[(3-methylbenzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide

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
375.43 g/molcalc.
Exact mass
375.1583 Dacalc.
LogP (octanol/water)
3.69calc.
Topological polar surface area
75.44 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
28calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.23calc.
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=C(C=Cc1cnc2c(c1)CCC(=O)N2)NCc1cc2ccccc2o1

O=C(C=Cc1cnc2c(c1)CCC(=O)N2)NCc1cc2ccccc2o1

4 rings, 26 atoms.

7 other chemicals 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.

Afn-1252 suppliers

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Afn-1252 price

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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 Afn-1252 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 Afn-1252 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Afn-1252, based on the data on this page

What is Afn-1252?

Afn-1252 is a chemical substance with the molecular formula C22H21N3O3 and a molar mass of 375.43 g/mol. Its CAS registry number is 620175-39-5. The IUPAC name is (E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide.

What is the CAS number of Afn-1252?

The CAS registry number of Afn-1252 is 620175-39-5.

What is the molecular formula and weight of Afn-1252?

The molecular formula of Afn-1252 is C22H21N3O3 and its molar mass is 375.43 g/mol.

What is Afn-1252 used for?

Known uses and roles of Afn-1252 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Afn-1252 hazardous?

No GHS hazard classification for Afn-1252 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 Afn-1252?

Afn-1252 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 Afn-1252?

Post a free request on CompoundList and suppliers of Afn-1252 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Afn-1252?

Suppliers quote Afn-1252 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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