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Heterocyclic building blocks

B2Txv3EH95

Also known as Diindeno(1,2-c:1',2'-E)pyridazin-12(7H)-one, 11,12-Diazapentacyclo(11.7.0.0(2,10).0(3,8).0(14,19))icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-20-one, Diindeno[1,2-c:1,2-e]pyridazin-12(7H)-one

CAS 161111-76-8Formula C18H10N2OMolar mass 270.29 g/mol
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B2Txv3EH95 chemical structure, C18H10N2O, CAS 161111-76-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
161111-76-8
Formula
C18H10N2O
Molar mass
270.29 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is B2Txv3EH95?

Plain description, key identifiers and synonyms

B2Txv3EH95 is a chemical substance with the molecular formula C18H10N2O and a molar mass of 270.29 g/mol. Its CAS registry number is 161111-76-8. The IUPAC name is 11,12-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-20-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
11,12-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-20-one
CAS number
161111-76-8
Molecular formula
C18H10N2O
UNII
B2TXV3EH95
InChIKey
DXLRHOVMJIANEN-UHFFFAOYSA-N
InChI
InChI=1S/C18H10N2O/c21-18-13-8-4-3-7-12(13)17-16(18)15-11-6-2-1-5-10(11)9-14(15)19-20-17/h1-8H,9H2
SMILES (canonical and isomeric)
C1C2=CC=CC=C2C3=C1N=NC4=C3C(=O)C5=CC=CC=C54

Synonyms

  • Diindeno(1,2-c:1',2'-E)pyridazin-12(7H)-one
  • 11,12-Diazapentacyclo(11.7.0.0(2,10).0(3,8).0(14,19))icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-20-one
  • Diindeno[1,2-c:1,2-e]pyridazin-12(7H)-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
270.29 g/molcalc.
Exact mass
270.0793 Dacalc.
LogP (octanol/water)
3.26calc.
Topological polar surface area
42.85 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
21calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.06calc.
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=C1c2ccccc2-c2nnc3c(c21)-c1ccccc1C3

O=C1c2ccccc2-c2nnc3c(c21)-c1ccccc1C3

5 rings, 21 atoms. This chemical is the scaffold itself.

No other chemical in our database has 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.

B2Txv3EH95 suppliers

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B2Txv3EH95 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 B2Txv3EH95 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for B2Txv3EH95 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about B2Txv3EH95, based on the data on this page

What is B2Txv3EH95?

B2Txv3EH95 is a chemical substance with the molecular formula C18H10N2O and a molar mass of 270.29 g/mol. Its CAS registry number is 161111-76-8. The IUPAC name is 11,12-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-20-one.

What is the CAS number of B2Txv3EH95?

The CAS registry number of B2Txv3EH95 is 161111-76-8.

What is the molecular formula and weight of B2Txv3EH95?

The molecular formula of B2Txv3EH95 is C18H10N2O and its molar mass is 270.29 g/mol.

What is B2Txv3EH95 used for?

Known uses and roles of B2Txv3EH95 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is B2Txv3EH95 hazardous?

No GHS hazard classification for B2Txv3EH95 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 B2Txv3EH95?

B2Txv3EH95 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy B2Txv3EH95?

Post a free request on CompoundList and suppliers of B2Txv3EH95 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of B2Txv3EH95?

Suppliers quote B2Txv3EH95 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

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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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