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Screening compounds

Syn 1253

Also known as syn1253, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(4-methyl-1H-1,2,3-triazol-1-yl)-1-pyrrolidinyl)-4-oxo-, 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid

CAS 168959-31-7Formula C21H22FN5O4Molar mass 427.44 g/mol
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Syn 1253 chemical structure, C21H22FN5O4, CAS 168959-31-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
168959-31-7
Formula
C21H22FN5O4
Molar mass
427.44 g/mol
HS code
293349
Category
Screening compounds

What is Syn 1253?

Plain description, key identifiers and synonyms

Syn 1253 is a chemical substance with the molecular formula C21H22FN5O4 and a molar mass of 427.44 g/mol. Its CAS registry number is 168959-31-7. The IUPAC name is 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CAS number
168959-31-7
Molecular formula
C21H22FN5O4
InChIKey
SAFXMYKFBXWQGD-UHFFFAOYSA-N
InChI
InChI=1S/C21H22FN5O4/c1-11-8-27(24-23-11)13-5-6-25(9-13)18-16(22)7-14-17(20(18)31-2)26(12-3-4-12)10-15(19(14)28)21(29)30/h7-8,10,12-13H,3-6,9H2,1-2H3,(H,29,30)
SMILES (canonical and isomeric)
CC1=CN(N=N1)C2CCN(C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

Synonyms

  • syn1253
  • 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(4-methyl-1H-1,2,3-triazol-1-yl)-1-pyrrolidinyl)-4-oxo-
  • 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid

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
427.44 g/molcalc.
Exact mass
427.1656 Dacalc.
LogP (octanol/water)
2.53calc.
Topological polar surface area
102.5 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
5calc.
Heavy atoms
31calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.43calc.
Formal charge
0calc.
Stereocentres
1calc.
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=c1ccn(C2CC2)c2cc(N3CCC(n4ccnn4)C3)ccc12

O=c1ccn(C2CC2)c2cc(N3CCC(n4ccnn4)C3)ccc12

5 rings, 24 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.

Syn 1253 suppliers

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Syn 1253 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 Syn 1253 is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Syn 1253 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Syn 1253, based on the data on this page

What is Syn 1253?

Syn 1253 is a chemical substance with the molecular formula C21H22FN5O4 and a molar mass of 427.44 g/mol. Its CAS registry number is 168959-31-7. The IUPAC name is 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid.

What is the CAS number of Syn 1253?

The CAS registry number of Syn 1253 is 168959-31-7.

What is the molecular formula and weight of Syn 1253?

The molecular formula of Syn 1253 is C21H22FN5O4 and its molar mass is 427.44 g/mol.

What is Syn 1253 used for?

Known uses and roles of Syn 1253 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Syn 1253 hazardous?

No GHS hazard classification for Syn 1253 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 Syn 1253?

Syn 1253 is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Syn 1253?

Post a free request on CompoundList and suppliers of Syn 1253 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Syn 1253?

Suppliers quote Syn 1253 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 Syn 1253

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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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