3-Br-Ara-U
TL;DR: 3-Br-Ara-U (CAS 6206-18-4) is a chemical compound with molecular formula C9H11BrN2O5 and molecular weight 305.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3R,4S,5R)-4-bromo-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 3-Br-Ara-U, KST-1B7209, 1-(3-bromo-3-deoxy-d-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione, 1-(3-Bromo-3-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one, 1-[(3R,4S,5R)-4-bromo-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
| Molecular Formula | C9H11BrN2O5 |
|---|---|
| Molecular Weight | 305.99 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.98514 |
| Heavy Atoms | 17 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 6206-18-4 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)C2[C@H]([C@@H]([C@H](O2)CO)Br)O |
| InChIKey | XMOJQZGVVRHTMQ-STUHELBRSA-N |
Product Overview
3-Br-Ara-U (CAS 6206-18-4), with molecular formula C9H11BrN2O5 and molecular weight 305.99 g/mol. IUPAC: 1-[(3R,4S,5R)-4-bromo-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 3-Br-Ara-U
Property Insights of 3-Br-Ara-U
The XLogP value of -1.1 indicates that 3-Br-Ara-U is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Br-Ara-U. Following Lipinski's Rule of Five, 3-Br-Ara-U has 3 hydrogen bond donor(s) and 5 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 3-Br-Ara-U?
The CAS number of 3-Br-Ara-U is 6206-18-4.
What is the molecular formula of 3-Br-Ara-U?
The molecular formula of 3-Br-Ara-U is C9H11BrN2O5.
What is the molecular weight of 3-Br-Ara-U?
The molecular weight of 3-Br-Ara-U is 305.99 g/mol.
Where can I buy 3-Br-Ara-U?
You can request a quote for 3-Br-Ara-U directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Br-Ara-U?
Yes, KEHONG BIO provides custom synthesis services for 3-Br-Ara-U and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.