UPCMLD0ENAT5733470:001
TL;DR: UPCMLD0ENAT5733470:001 (CAS 575468-07-4) is a chemical compound with molecular formula C16H15BrN8O2S and molecular weight 462.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-1,3-dimethyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5733470:001, 8-bromo-1,3-dimethyl-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione, 8-bromo-1,3-dimethyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione, 8-bromo-1,3-dimethyl-7-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-bromo-1,3-dimethyl-7-[2-(1-phenyl(1,2,3,4-tetraazol-5-ylthio))ethyl]-1,3,7-t rihydropurine-2,6-dione
| Molecular Formula | C16H15BrN8O2S |
|---|---|
| Molecular Weight | 462.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.02222 |
| Heavy Atoms | 28 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 575468-07-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCSC3=NN=NN3C4=CC=CC=C4 |
| InChIKey | CXFCEZMOUCJHSN-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5733470:001 (CAS 575468-07-4), with molecular formula C16H15BrN8O2S and molecular weight 462.02 g/mol. IUPAC: 8-bromo-1,3-dimethyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5733470:001
Property Insights of UPCMLD0ENAT5733470:001
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5733470:001. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5733470:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5733470:001 has 0 hydrogen bond donor(s) and 7 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 UPCMLD0ENAT5733470:001?
The CAS number of UPCMLD0ENAT5733470:001 is 575468-07-4.
What is the molecular formula of UPCMLD0ENAT5733470:001?
The molecular formula of UPCMLD0ENAT5733470:001 is C16H15BrN8O2S.
What is the molecular weight of UPCMLD0ENAT5733470:001?
The molecular weight of UPCMLD0ENAT5733470:001 is 462.02 g/mol.
Where can I buy UPCMLD0ENAT5733470:001?
You can request a quote for UPCMLD0ENAT5733470:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5733470:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5733470:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.