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Screening compounds

Cap-1

Also known as Urea, N-(3-chloro-4-methylphenyl)-N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-, 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}urea, 1-(3-chloro-4-methylphenyl)-3-(2-(((5-((dimethylamino)methyl)furan-2-yl)methyl)sulfanyl)ethyl)urea

CAS 564475-13-4Formula C18H24ClN3O2SMolar mass 381.93 g/mol
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Cap-1 chemical structure, C18H24ClN3O2S, CAS 564475-13-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
564475-13-4
Formula
C18H24ClN3O2S
Molar mass
381.93 g/mol
HS code
293219
Category
Screening compounds

What is Cap-1?

Plain description, key identifiers and synonyms

Cap-1 is a chemical substance with the molecular formula C18H24ClN3O2S and a molar mass of 381.93 g/mol. Its CAS registry number is 564475-13-4. The IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]urea.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(3-chloro-4-methylphenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]urea
CAS number
564475-13-4
Molecular formula
C18H24ClN3O2S
UNII
X5U1W7S3VQ
InChIKey
WEYNBWVKOYCCQT-UHFFFAOYSA-N
InChI
InChI=1S/C18H24ClN3O2S/c1-13-4-5-14(10-17(13)19)21-18(23)20-8-9-25-12-16-7-6-15(24-16)11-22(2)3/h4-7,10H,8-9,11-12H2,1-3H3,(H2,20,21,23)
SMILES (canonical and isomeric)
CC1=C(C=C(C=C1)NC(=O)NCCSCC2=CC=C(O2)CN(C)C)Cl

Synonyms

  • Urea, N-(3-chloro-4-methylphenyl)-N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-
  • 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}urea
  • 1-(3-chloro-4-methylphenyl)-3-(2-(((5-((dimethylamino)methyl)furan-2-yl)methyl)sulfanyl)ethyl)urea
  • 1-(3-Chloro-4-Methylphenyl)-3-{2-[({5-[(Dimethylamino)methyl]-2-Furyl}methyl)thio]ethyl}urea
  • 1-(3-chloro-4-methylphenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]urea
  • JPR

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
381.93 g/molcalc.
Exact mass
381.1278 Dacalc.
LogP (octanol/water)
4.36calc.
Topological polar surface area
57.51 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
8calc.
Heavy atoms
25calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.39calc.
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(NCCSCc1ccco1)Nc1ccccc1

O=C(NCCSCc1ccco1)Nc1ccccc1

2 rings, 19 atoms.

2 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.

Cap-1 suppliers

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Cap-1 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 Cap-1 is traded under.

HS 2932.19Indicative HS code

Compounds containing an unfused furan ring (whether or not hydrogenated) in the…

World exports in 2024
$2.62B
−6.4% vs 2023, imports $2.56B
2019 to 2024
Top exporters
  1. Germany57.9%
  2. Italy11.5%
  3. China10.4%
Top importers
  1. Greece40.4%
  2. Japan16.3%
  3. Germany12.8%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Cap-1 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cap-1, based on the data on this page

What is Cap-1?

Cap-1 is a chemical substance with the molecular formula C18H24ClN3O2S and a molar mass of 381.93 g/mol. Its CAS registry number is 564475-13-4. The IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]urea.

What is the CAS number of Cap-1?

The CAS registry number of Cap-1 is 564475-13-4.

What is the molecular formula and weight of Cap-1?

The molecular formula of Cap-1 is C18H24ClN3O2S and its molar mass is 381.93 g/mol.

What is Cap-1 used for?

Known uses and roles of Cap-1 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Cap-1 hazardous?

No GHS hazard classification for Cap-1 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 Cap-1?

Cap-1 is usually classified under HS code 293219 (Compounds containing an unfused furan ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cap-1?

Post a free request on CompoundList and suppliers of Cap-1 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Cap-1?

Suppliers quote Cap-1 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 Cap-1

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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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