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Heterocyclic compounds

Bms-250749

Also known as 5H-Indolo(2,3-a)pyrrolo(3,4-C)carbazole-5,7(6H)-dione, 12-(4-deoxy-4-fluoro-beta-D-glucopyranosyl)-3,9-difluoro-12,13-dihydro-, BMS 250749

CAS 406913-72-2Formula C26H18F3N3O6Molar mass 525.44 g/mol
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Bms-250749 chemical structure, C26H18F3N3O6, CAS 406913-72-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
406913-72-2
Formula
C26H18F3N3O6
Molar mass
525.44 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Bms-250749?

Plain description, key identifiers and synonyms

Bms-250749 is a chemical substance with the molecular formula C26H18F3N3O6 and a molar mass of 525.44 g/mol. Its CAS registry number is 406913-72-2. The IUPAC name is 7,19-difluoro-3-[(2R,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7,19-difluoro-3-[(2R,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
CAS number
406913-72-2
Molecular formula
C26H18F3N3O6
UNII
HU1KU33PO9
InChIKey
MUXIBMYSVWHKJF-KLQAUAMZSA-N
InChI
InChI=1S/C26H18F3N3O6/c27-8-1-3-12-10(5-8)15-17-18(25(37)31-24(17)36)16-11-6-9(28)2-4-13(11)32(21(16)20(15)30-12)26-23(35)22(34)19(29)14(7-33)38-26/h1-6,14,19,22-23,26,30,33-35H,7H2,(H,31,36,37)/t14-,19-,22+,23-,26-/m1/s1
Canonical SMILES
O=C1NC(=O)c2c1c1c3cc(F)ccc3[nH]c1c1c2c2cc(F)ccc2n1C1OC(CO)C(F)C(O)C1O
Isomeric SMILES
C1=CC2=C(C=C1F)C3=C4C(=C5C6=C(C=CC(=C6)F)N(C5=C3N2)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)F)O)O)C(=O)NC4=O

Synonyms

  • 5H-Indolo(2,3-a)pyrrolo(3,4-C)carbazole-5,7(6H)-dione, 12-(4-deoxy-4-fluoro-beta-D-glucopyranosyl)-3,9-difluoro-12,13-dihydro-
  • BMS 250749

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
525.44 g/molcalc.
Exact mass
525.1148 Dacalc.
LogP (octanol/water)
2.54calc.
Topological polar surface area
136.8 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
38calc.
Rings
7calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.23calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (1 violation)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=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1C1CCCCO1

O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1C1CCCCO1

7 rings, 31 atoms.

8 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.

Bms-250749 suppliers

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Bms-250749 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

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 Bms-250749 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 Bms-250749 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Bms-250749, based on the data on this page

What is Bms-250749?

Bms-250749 is a chemical substance with the molecular formula C26H18F3N3O6 and a molar mass of 525.44 g/mol. Its CAS registry number is 406913-72-2.

What is the CAS number of Bms-250749?

The CAS registry number of Bms-250749 is 406913-72-2.

What is the molecular formula and weight of Bms-250749?

The molecular formula of Bms-250749 is C26H18F3N3O6 and its molar mass is 525.44 g/mol.

Is Bms-250749 hazardous?

No GHS hazard classification for Bms-250749 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 Bms-250749?

Bms-250749 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 Bms-250749?

Post a free request on CompoundList and suppliers of Bms-250749 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Bms-250749?

Suppliers quote Bms-250749 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 Bms-250749

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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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