5-Bromothienyldeoxyuridine
TL;DR: 5-Bromothienyldeoxyuridine (CAS 146629-29-0) is a chemical compound with molecular formula C13H13BrN2O5S and molecular weight 387.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-bromothiophen-2-yl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: BVDU analog, 5-BROMOTHIENYLDEOXYURIDINE, 5-Btydu, BTDU, 5-(5-Bromothien-2-yl)-2'-deoxyuridine
| Molecular Formula | C13H13BrN2O5S |
|---|---|
| Molecular Weight | 387.97 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.97287 |
| Heavy Atoms | 22 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 146629-29-0 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C3=CC=C(S3)Br)CO)O |
| InChIKey | IGUZFFOBAZCVRK-VAOFZXAKSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromothienyldeoxyuridine (CAS 146629-29-0), with molecular formula C13H13BrN2O5S and molecular weight 387.97 g/mol. IUPAC: 5-(5-bromothiophen-2-yl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-Bromothienyldeoxyuridine
Property Insights of 5-Bromothienyldeoxyuridine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromothienyldeoxyuridine. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromothienyldeoxyuridine. Following Lipinski's Rule of Five, 5-Bromothienyldeoxyuridine has 3 hydrogen bond donor(s) and 6 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-Bromothienyldeoxyuridine?
The CAS number of 5-Bromothienyldeoxyuridine is 146629-29-0.
What is the molecular formula of 5-Bromothienyldeoxyuridine?
The molecular formula of 5-Bromothienyldeoxyuridine is C13H13BrN2O5S.
What is the molecular weight of 5-Bromothienyldeoxyuridine?
The molecular weight of 5-Bromothienyldeoxyuridine is 387.97 g/mol.
Where can I buy 5-Bromothienyldeoxyuridine?
You can request a quote for 5-Bromothienyldeoxyuridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromothienyldeoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromothienyldeoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.