Brcdr
TL;DR: Brcdr (CAS 1022-79-3) is a chemical compound with molecular formula C9H12BrN3O4 and molecular weight 305.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C9H12BrN3O4 |
|---|---|
| Molecular Weight | 305.00 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.00113 |
| Heavy Atoms | 17 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 1022-79-3 |
|---|---|
| SMILES | C1[C@@H](O[C@@H](C1O)CO)N2C=C(C(=NC2=O)N)Br |
| InChIKey | KISUPFXQEHWGAR-JXBXZBNISA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Brcdr (CAS 1022-79-3), with molecular formula C9H12BrN3O4 and molecular weight 305.00 g/mol. IUPAC: 4-amino-5-bromo-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of Brcdr
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
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 305.00 g/mol.
Where can I buy Brcdr?
You can request a quote for Brcdr directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brcdr?
Yes, KEHONG BIO provides custom synthesis services for Brcdr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.