UPCMLD0ENAT5829947:001
TL;DR: UPCMLD0ENAT5829947:001 (CAS 501352-42-7) is a chemical compound with molecular formula C22H27N7O2S2 and molecular weight 485.17 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-(4-ethylpiperazin-1-yl)-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5829947:001, 7-(2-benzothiazol-2-ylthioethyl)-8-(4-ethylpiperazinyl)-1,3-dimethyl-1,3,7-tri hydropurine-2,6-dione, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethylpurine-2,6-dione, 7-(2-benzothiazol-2-ylsulfanylethyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-purine-2,6-dione, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C22H27N7O2S2 |
|---|---|
| Molecular Weight | 485.17 g/mol |
| LogP | 1.9776 |
| Topological Polar Surface Area | 81.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.16678 |
| Heavy Atoms | 33 |
| Complexity | 1393.5483 |
Chemical Identifiers
| CAS Number | 501352-42-7 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC3=C(N2CCSC4=NC5=CC=CC=C5S4)C(=O)N(C(=O)N3C)C |
Product Overview
UPCMLD0ENAT5829947:001 (CAS 501352-42-7), with molecular formula C22H27N7O2S2 and molecular weight 485.17 g/mol. IUPAC: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5829947:001
Property Insights of UPCMLD0ENAT5829947:001
The XLogP value of 1.9776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5829947:001. The TPSA of 81.19 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5829947:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5829947:001 has 0 hydrogen bond donor(s) and 8 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 UPCMLD0ENAT5829947:001?
The CAS number of UPCMLD0ENAT5829947:001 is 501352-42-7.
What is the molecular formula of UPCMLD0ENAT5829947:001?
The molecular formula of UPCMLD0ENAT5829947:001 is C22H27N7O2S2.
What is the molecular weight of UPCMLD0ENAT5829947:001?
The molecular weight of UPCMLD0ENAT5829947:001 is 485.17 g/mol.
Where can I buy UPCMLD0ENAT5829947:001?
You can request a quote for UPCMLD0ENAT5829947:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5829947:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5829947:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.