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Screening compounds

TA 993

Also known as 3-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-8-methyl-2-(4-methylphenyl)-1,5-benzothiazepin-4(5H)-one, cis-(-)-3-(Acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-8-methyl-2-(4-methylphenyl)-1,5-benzothiazepin-4(5H)-one, 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-8-methyl-2-(4-methylphenyl)-, cis-(-)-

CAS 122024-96-8Formula C23H28N2O3SMolar mass 412.56 g/mol
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TA 993 chemical structure, C23H28N2O3S, CAS 122024-96-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
122024-96-8
Formula
C23H28N2O3S
Molar mass
412.56 g/mol
HS code
293499
Category
Screening compounds

What is TA 993?

Plain description, key identifiers and synonyms

TA 993 is a chemical substance with the molecular formula C23H28N2O3S and a molar mass of 412.56 g/mol. Its CAS registry number is 122024-96-8. The IUPAC name is [5-[2-(dimethylamino)ethyl]-8-methyl-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[5-[2-(dimethylamino)ethyl]-8-methyl-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
CAS number
122024-96-8 CAS number cross-checked
Molecular formula
C23H28N2O3S
InChIKey
FVGKAJGOHWOXLU-UHFFFAOYSA-N
InChI
InChI=1S/C23H28N2O3S/c1-15-6-9-18(10-7-15)22-21(28-17(3)26)23(27)25(13-12-24(4)5)19-11-8-16(2)14-20(19)29-22/h6-11,14,21-22H,12-13H2,1-5H3
SMILES (canonical and isomeric)
CC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)C)CCN(C)C)OC(=O)C

Synonyms

  • 3-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-8-methyl-2-(4-methylphenyl)-1,5-benzothiazepin-4(5H)-one
  • cis-(-)-3-(Acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-8-methyl-2-(4-methylphenyl)-1,5-benzothiazepin-4(5H)-one
  • 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-8-methyl-2-(4-methylphenyl)-, cis-(-)-
  • 5-[2-(Dimethylamino)ethyl]-8-methyl-2-(4-methylphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate

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
412.56 g/molcalc.
Exact mass
412.1821 Dacalc.
LogP (octanol/water)
3.98calc.
Topological polar surface area
49.85 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
2calc.
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=C1CC(c2ccccc2)Sc2ccccc2N1

O=C1CC(c2ccccc2)Sc2ccccc2N1

3 rings, 18 atoms, the 2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one ring system.

122 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.

TA 993 suppliers

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TA 993 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 TA 993 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 TA 993 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about TA 993, based on the data on this page

What is TA 993?

TA 993 is a chemical substance with the molecular formula C23H28N2O3S and a molar mass of 412.56 g/mol. Its CAS registry number is 122024-96-8. The IUPAC name is [5-[2-(dimethylamino)ethyl]-8-methyl-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate.

What is the CAS number of TA 993?

The CAS registry number of TA 993 is 122024-96-8.

What is the molecular formula and weight of TA 993?

The molecular formula of TA 993 is C23H28N2O3S and its molar mass is 412.56 g/mol.

What is TA 993 used for?

Known uses and roles of TA 993 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is TA 993 hazardous?

No GHS hazard classification for TA 993 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 TA 993?

TA 993 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 TA 993?

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What is the price of TA 993?

Suppliers quote TA 993 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 TA 993

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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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