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Heterocyclic building blocks

Phyllanthine

Also known as (2R,4R,8S)-4-Methoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one, (2R,4R,8S)-4-methoxy-14-oxa-7-azatetracyclo(6.6.1.01,11.02,7)pentadeca-9,11-dien-13-one, (6s,10r,11ar)-10-methoxy-9,10,11,11a-tetrahydro-8h-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6h)-one

CAS 20072-02-0Formula C14H17NO3Molar mass 247.29 g/mol
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Phyllanthine chemical structure, C14H17NO3, CAS 20072-02-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
20072-02-0
Formula
C14H17NO3
Molar mass
247.29 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Phyllanthine?

Plain description, key identifiers and synonyms

Phyllanthine is a chemical substance with the molecular formula C14H17NO3 and a molar mass of 247.29 g/mol. Its CAS registry number is 20072-02-0. The IUPAC name is (2R,4R,8S)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,4R,8S)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
CAS number
20072-02-0 CAS number cross-checked
Molecular formula
C14H17NO3
InChIKey
YKLWRYOORWTCQQ-ZXRVKKJVSA-N
InChI
InChI=1S/C14H17NO3/c1-17-11-4-5-15-10-3-2-9-6-13(16)18-14(9,8-10)12(15)7-11/h2-3,6,10-12H,4-5,7-8H2,1H3/t10-,11-,12-,14?/m1/s1
Canonical SMILES
COC1CCN2C3C=CC4=CC(=O)OC4(C3)C2C1
Isomeric SMILES
CO[C@@H]1CCN2[C@H](C1)C34C[C@H]2C=CC3=CC(=O)O4

Synonyms

  • (2R,4R,8S)-4-Methoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
  • (2R,4R,8S)-4-methoxy-14-oxa-7-azatetracyclo(6.6.1.01,11.02,7)pentadeca-9,11-dien-13-one
  • (6s,10r,11ar)-10-methoxy-9,10,11,11a-tetrahydro-8h-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6h)-one
  • 10-methoxy-9,10,11,11a-tetrahydro-8h-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6h)-one

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
247.29 g/molcalc.
Exact mass
247.1208 Dacalc.
LogP (octanol/water)
1.03calc.
Topological polar surface area
38.77 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
18calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
4calc.
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=C1C=C2C=CC3CC2(O1)C1CCCCN31

O=C1C=C2C=CC3CC2(O1)C1CCCCN31

4 rings, 16 atoms, the 2-Allosecurinine ring system.

10 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.

Phyllanthine suppliers

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

Frequently asked questions

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

What is Phyllanthine?

Phyllanthine is a chemical substance with the molecular formula C14H17NO3 and a molar mass of 247.29 g/mol. Its CAS registry number is 20072-02-0. The IUPAC name is (2R,4R,8S)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one.

What is the CAS number of Phyllanthine?

The CAS registry number of Phyllanthine is 20072-02-0.

What is the molecular formula and weight of Phyllanthine?

The molecular formula of Phyllanthine is C14H17NO3 and its molar mass is 247.29 g/mol.

What is Phyllanthine used for?

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

Is Phyllanthine hazardous?

No GHS hazard classification for Phyllanthine 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 Phyllanthine?

Phyllanthine 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 Phyllanthine?

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

What is the price of Phyllanthine?

Suppliers quote Phyllanthine 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 Phyllanthine

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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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