Oxathiolane 5BrC-alpha
TL;DR: Oxathiolane 5BrC-alpha (CAS 145986-30-7) 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-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
Also Known As: Oxathiolane 5BrC-alpha, Oxathiolan 5BrC-.b., Oxathiolane 5BrC-.a., 2(1H)-Pyrimidinone, 4-amino-5-bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-trans)-, (+)-(2R,5R)-5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine
| 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 | 145986-30-7 |
|---|---|
| SMILES | C1[C@@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)Br |
| InChIKey | QDHJQKGCCKOBKX-PHDIDXHHSA-N |
Product Overview
Oxathiolane 5BrC-alpha (CAS 145986-30-7), with molecular formula C8H10BrN3O3S and molecular weight 306.96 g/mol. IUPAC: 4-amino-5-bromo-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one.
Chemical Property Profile of Oxathiolane 5BrC-alpha
Property Insights of Oxathiolane 5BrC-alpha
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxathiolane 5BrC-alpha. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxathiolane 5BrC-alpha. Following Lipinski's Rule of Five, Oxathiolane 5BrC-alpha 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 Oxathiolane 5BrC-alpha?
The CAS number of Oxathiolane 5BrC-alpha is 145986-30-7.
What is the molecular formula of Oxathiolane 5BrC-alpha?
The molecular formula of Oxathiolane 5BrC-alpha is C8H10BrN3O3S.
What is the molecular weight of Oxathiolane 5BrC-alpha?
The molecular weight of Oxathiolane 5BrC-alpha is 306.96 g/mol.
Where can I buy Oxathiolane 5BrC-alpha?
You can request a quote for Oxathiolane 5BrC-alpha directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxathiolane 5BrC-alpha?
Yes, KEHONG BIO provides custom synthesis services for Oxathiolane 5BrC-alpha and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.