UPCMLD0ENAT5713028:001
TL;DR: UPCMLD0ENAT5713028:001 (CAS 887864-76-8) is a chemical compound with molecular formula C15H17BrN6O2S and molecular weight 424.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5713028:001, 8-bromo-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, F2582-0107, 8-bromo-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione, 8-bromo-7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C15H17BrN6O2S |
|---|---|
| Molecular Weight | 424.03 g/mol |
| LogP | 1.39534 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.0317 |
| Heavy Atoms | 25 |
| Complexity | 1064.0358 |
Chemical Identifiers
| CAS Number | 887864-76-8 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCCN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C)C |
Product Overview
UPCMLD0ENAT5713028:001 (CAS 887864-76-8), with molecular formula C15H17BrN6O2S and molecular weight 424.03 g/mol. IUPAC: 8-bromo-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5713028:001
Property Insights of UPCMLD0ENAT5713028:001
The XLogP value of 1.39534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5713028:001. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5713028:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5713028:001 has 0 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 UPCMLD0ENAT5713028:001?
The CAS number of UPCMLD0ENAT5713028:001 is 887864-76-8.
What is the molecular formula of UPCMLD0ENAT5713028:001?
The molecular formula of UPCMLD0ENAT5713028:001 is C15H17BrN6O2S.
What is the molecular weight of UPCMLD0ENAT5713028:001?
The molecular weight of UPCMLD0ENAT5713028:001 is 424.03 g/mol.
Where can I buy UPCMLD0ENAT5713028:001?
You can request a quote for UPCMLD0ENAT5713028:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5713028:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5713028:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.