5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine
TL;DR: 5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine (CAS 137530-43-9) is a chemical compound with molecular formula C8H10BrN3O3S and molecular weight 306.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-bromo-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
Also Known As: 5-Bhmo-cytosine, 5-BrSddC, Oxathiolan 5BrC-.b., Oxathiolan, 5BrC-(+).b., Oxathiolan, 5BrC-(-)-alpha
| Molecular Formula | C8H10BrN3O3S |
|---|---|
| Molecular Weight | 306.96 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.96262 |
| Heavy Atoms | 16 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 137530-43-9 |
|---|---|
| SMILES | C1[C@@H](O[C@@H](S1)CO)N2C=C(C(=NC2=O)N)Br |
| InChIKey | QDHJQKGCCKOBKX-RITPCOANSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine (CAS 137530-43-9), with molecular formula C8H10BrN3O3S and molecular weight 306.96 g/mol. IUPAC: 4-amino-5-bromo-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one.
Chemical Property Profile of 5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine
Property Insights of 5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine. Following Lipinski's Rule of Five, 5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine has 2 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 5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine?
The CAS number of 5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine is 137530-43-9.
What is the molecular formula of 5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine?
The molecular formula of 5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine is C8H10BrN3O3S.
What is the molecular weight of 5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine?
The molecular weight of 5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine is 306.96 g/mol.
Where can I buy 5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine?
You can request a quote for 5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.