UPCMLD0ENAT5829958:001
TL;DR: UPCMLD0ENAT5829958:001 (CAS 501352-48-3) is a chemical compound with molecular formula C22H27N7O3S2 and molecular weight 501.16 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-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5829958:001, 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, AB00668580-01, F0570-0414, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C22H27N7O3S2 |
|---|---|
| Molecular Weight | 501.16 g/mol |
| LogP | 0.95 |
| Topological Polar Surface Area | 101.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.16168 |
| Heavy Atoms | 34 |
| Complexity | 1413.7372 |
Chemical Identifiers
| CAS Number | 501352-48-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CCO)CCSC4=NC5=CC=CC=C5S4 |
Product Overview
UPCMLD0ENAT5829958:001 (CAS 501352-48-3), with molecular formula C22H27N7O3S2 and molecular weight 501.16 g/mol. IUPAC: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5829958:001
Property Insights of UPCMLD0ENAT5829958:001
The XLogP value of 0.95 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5829958:001. The TPSA of 101.42 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5829958:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5829958:001 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5829958:001?
The CAS number of UPCMLD0ENAT5829958:001 is 501352-48-3.
What is the molecular formula of UPCMLD0ENAT5829958:001?
The molecular formula of UPCMLD0ENAT5829958:001 is C22H27N7O3S2.
What is the molecular weight of UPCMLD0ENAT5829958:001?
The molecular weight of UPCMLD0ENAT5829958:001 is 501.16 g/mol.
Where can I buy UPCMLD0ENAT5829958:001?
You can request a quote for UPCMLD0ENAT5829958:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5829958:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5829958:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.