UPCMLD0ENAT5831759:001
TL;DR: UPCMLD0ENAT5831759:001 (CAS 685860-69-9) is a chemical compound with molecular formula C23H28N6O2S2 and molecular weight 484.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5831759:001, 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, AB00684480-01, F0570-0344, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C23H28N6O2S2 |
|---|---|
| Molecular Weight | 484.17 g/mol |
| LogP | 3.318 |
| Topological Polar Surface Area | 77.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.1715 |
| Heavy Atoms | 33 |
| Complexity | 1406.1907 |
Chemical Identifiers
| CAS Number | 685860-69-9 |
|---|---|
| SMILES | CC1CC(CN(C1)C2=NC3=C(N2CCSC4=NC5=CC=CC=C5S4)C(=O)N(C(=O)N3C)C)C |
Product Overview
UPCMLD0ENAT5831759:001 (CAS 685860-69-9), with molecular formula C23H28N6O2S2 and molecular weight 484.17 g/mol. IUPAC: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5831759:001
Property Insights of UPCMLD0ENAT5831759:001
The XLogP value of 3.318 indicates that UPCMLD0ENAT5831759:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.95 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5831759:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5831759:001 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 UPCMLD0ENAT5831759:001?
The CAS number of UPCMLD0ENAT5831759:001 is 685860-69-9.
What is the molecular formula of UPCMLD0ENAT5831759:001?
The molecular formula of UPCMLD0ENAT5831759:001 is C23H28N6O2S2.
What is the molecular weight of UPCMLD0ENAT5831759:001?
The molecular weight of UPCMLD0ENAT5831759:001 is 484.17 g/mol.
Where can I buy UPCMLD0ENAT5831759:001?
You can request a quote for UPCMLD0ENAT5831759:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5831759:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5831759:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.