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Tannase chemical structure, C52H52F12N2O5, CAS 9025-71-2
2D chemical structure

Key facts

What buyers check first

CAS number
9025-71-2
Formula
C52H52F12N2O5
Molar mass
1,012.97 g/mol
EC number
232-804-4
HS code
292429
Category
Amines and amides

What is Tannase?

Plain description, key identifiers and synonyms

Tannase is a chemical substance with the molecular formula C52H52F12N2O5 and a molar mass of 1,012.97 g/mol. Its CAS registry number is 9025-71-2. The IUPAC name is (E)-4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]ethylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one, tert-butyl N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]ethylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one, tert-butyl N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate
CAS number
9025-71-2
EC number
232-804-4
Molecular formula
C52H52F12N2O5
InChIKey
TVHUJHPQINEZAF-LDWVDBOMSA-N
InChI
InChI=1S/C29H31F6NO3.C23H21F6NO2/c1-5-23(37)9-6-18-7-10-24-20(14-18)8-11-25(24)36(26(38)39-27(2,3)4)13-12-19-15-21(28(30,31)32)17-22(16-19)29(33,34)35;24-22(25,26)17-10-15(11-18(12-17)23(27,28)29)7-8-30-21-6-3-16-9-14(2-5-20(16)21)1-4-19(32)13-31/h6-7,9-10,14-17,25H,5,8,11-13H2,1-4H3;1-2,4-5,9-12,21,30-31H,3,6-8,13H2/b9-6+;4-1+
Canonical SMILES
CCC(=O)C=Cc1ccc2c(c1)CCC2N(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C.O=C(C=Cc1ccc2c(c1)CCC2NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CO
Isomeric SMILES
CCC(=O)/C=C/C1=CC2=C(C=C1)C(CC2)N(CCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC(C)(C)C.C1CC2=C(C1NCCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C=CC(=C2)/C=C/C(=O)CO

Synonyms

  • tannin acylhydrolase

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
1,012.97 g/molcalc.
Exact mass
1,012.3685 Dacalc.
LogP (octanol/water)
13.3calc.
Topological polar surface area
95.94 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
14calc.
Heavy atoms
71calc.
Rings
6calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
2calc.
Lipinski rule of five
Fails (2 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, c1ccc(CCNC2CCc3ccccc32)cc1

c1ccc(CCNC2CCc3ccccc32)cc1

3 rings, 18 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Precautionary statements (8)
  • P233Keep container tightly closed.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P271Use only outdoors or in a well-ventilated area.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P342 + P316If experiencing respiratory symptoms: Get emergency medical help immediately.
  • P403Store in a well-ventilated place.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Tannase suppliers

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Tannase price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Tannase is traded under.

HS 2924.29Indicative HS code

Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$5.69B
−5.1% vs 2023, imports $5.8B
2019 to 2024
Top exporters
  1. China32.3%
  2. Switzerland * partner reported13.6%
  3. Norway * partner reported12.8%
Top importers
  1. United States15.9%
  2. Ireland15.8%
  3. Germany11.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Tannase?

Tannase is a chemical substance with the molecular formula C52H52F12N2O5 and a molar mass of 1,012.97 g/mol. Its CAS registry number is 9025-71-2.

What is the CAS number of Tannase?

The CAS registry number of Tannase is 9025-71-2.

What is the molecular formula and weight of Tannase?

The molecular formula of Tannase is C52H52F12N2O5 and its molar mass is 1,012.97 g/mol.

Is Tannase hazardous?

Tannase carries the GHS signal word "Danger". Main hazards: may cause allergy or asthma symptoms or breathing difficulties if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Tannase?

Tannase is usually classified under HS code 292429 (Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Tannase?

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What is the price of Tannase?

Suppliers quote Tannase 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 Tannase

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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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