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Brcdr structure
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Brcdr

TL;DR: Brcdr (CAS 1022-79-3) is a chemical compound with molecular formula C9H12BrN3O4 and molecular weight 305.00113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

5-溴脱氧胞苷

4-amino-5-bromo-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Also Known As: Brcdr, Bromodeoxycytidine, 5-Bromodeoxycytidine, BCDR, 5-Bromo-2'-deoxycytidine

CAS Number
1022-79-3
Molecular Formula
C9H12BrN3O4
Molecular Weight
305.00113 g/mol
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Application Areas

Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (17 patents) Analytical Reagents (111 patents) Biotechnology (704 patents) Heterocyclic Building Blocks (241 patents) Organometallic Reagents (4 patents)

Technical Specifications

Molecular FormulaC9H12BrN3O4
Molecular Weight305.00113 g/mol
XLogP-0.9
Topological Polar Surface Area (TPSA)108.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors4
Rotatable Bonds2
Exact Mass305.00113 Da
Heavy Atoms17
Complexity398.0
SMILESC1[C@@H](O[C@@H](C1O)CO)N2C=C(C(=NC2=O)N)Br
InChIKeyKISUPFXQEHWGAR-JXBXZBNISA-N

Chemical Property Profile of Brcdr

XLogP
-0.9
TPSA (Topological Polar Surface Area)
108.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
Rotatable Bonds
2
Heavy Atoms
17
Complexity
398.0
Exact Mass
305.00113
Monoisotopic Mass
305.00113
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Brcdr

The XLogP value of -0.9 indicates that Brcdr is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Brcdr. Following Lipinski's Rule of Five, Brcdr has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Brcdr?

The CAS number of Brcdr is 1022-79-3.

What is the molecular formula of Brcdr?

The molecular formula of Brcdr is C9H12BrN3O4.

What is the molecular weight of Brcdr?

The molecular weight of Brcdr is 305.00113 g/mol.

Where can I buy Brcdr?

You can request a quote for Brcdr directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Brcdr?

Yes, CoreyChem provides custom synthesis services for Brcdr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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