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Heterocyclic building blocks

Hypericum

Also known as Hypericums, 6-formamidopenicillanic acid, (2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

CAS 64527-04-4Formula C9H12N2O4SMolar mass 244.27 g/mol
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Hypericum chemical structure, C9H12N2O4S, CAS 64527-04-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
64527-04-4
Formula
C9H12N2O4S
Molar mass
244.27 g/mol
HS code
294110
Category
Heterocyclic building blocks

What is Hypericum?

Plain description, key identifiers and synonyms

6-formamidopenicillanic acid is a penicillanic acid having a (6R)-formamido substituent. It is functionally related to a 6-aminopenicillanic acid. It is a conjugate acid of a 6-formamidopenicillanate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS number
64527-04-4 CAS number cross-checked
Molecular formula
C9H12N2O4S
UNII
2TC14ZH3A5
InChIKey
MDQGTDMBVJCTBN-JCGDXUMPSA-N
InChI
InChI=1S/C9H12N2O4S/c1-9(2)5(8(14)15)11-6(13)4(10-3-12)7(11)16-9/h3-5,7H,1-2H3,(H,10,12)(H,14,15)/t4-,5+,7-/m1/s1
Canonical SMILES
CC1(C)SC2C(NC=O)C(=O)N2C1C(=O)O
Isomeric SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC=O)C(=O)O)C

Synonyms

  • Hypericums
  • 6-formamidopenicillanic acid
  • (2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • PAB 141
  • 141a/2A
  • 6-formamido-2,2-dimethylpenam-3alpha-carboxylic acid
  • (2S,5R,6R)-6-Formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(formylamino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
  • 6beta-formylaminopenicillanic acid
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(formylamino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(formylamino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6.beta.))-

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
244.27 g/molcalc.
Exact mass
244.0518 Dacalc.
LogP (octanol/water)
-0.75calc.
Topological polar surface area
86.71 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
16calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
3calc.
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=C1CC2SCCN12

O=C1CC2SCCN12

2 rings, 8 atoms, the 4-Thia-1-azabicyclo(3.2.0)heptan-7-one ring system.

103 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.

Hypericum suppliers

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Hypericum 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 Hypericum is traded under.

HS 2941.10Indicative HS code

Penicillins and their derivatives with a penicillanic acid structure, salts thereof

World exports in 2024
$1.66B
−2.5% vs 2023, imports $1.63B
2019 to 2024
Top exporters
  1. China56.8%
  2. Spain13.1%
  3. India * partner reported7.7%
Top importers
  1. India * partner reported16.4%
  2. Austria9.3%
  3. Brazil5.4%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Hypericum?

6-formamidopenicillanic acid is a penicillanic acid having a (6R)-formamido substituent. It is functionally related to a 6-aminopenicillanic acid. It is a conjugate acid of a 6-formamidopenicillanate.

What is the CAS number of Hypericum?

The CAS registry number of Hypericum is 64527-04-4.

What is the molecular formula and weight of Hypericum?

The molecular formula of Hypericum is C9H12N2O4S and its molar mass is 244.27 g/mol.

What is Hypericum used for?

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

Is Hypericum hazardous?

No GHS hazard classification for Hypericum 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 Hypericum?

Hypericum is usually classified under HS code 294110 (Penicillins and their derivatives with a penicillanic acid structure, salts thereof). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hypericum?

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

What is the price of Hypericum?

Suppliers quote Hypericum 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 Hypericum

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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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