UPCMLD0ENAT5839958:001
TL;DR: UPCMLD0ENAT5839958:001 (CAS 501352-33-6) is a chemical compound with molecular formula C25H26N10O2S and molecular weight 530.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(4-phenylpiperazin-1-yl)-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5839958:001, 3-methyl-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, AB00668509-01, 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione, F0570-0102
| Molecular Formula | C25H26N10O2S |
|---|---|
| Molecular Weight | 530.20 g/mol |
| LogP | 1.5179 |
| Topological Polar Surface Area | 122.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.1961 |
| Heavy Atoms | 38 |
| Complexity | 1667.6202 |
Chemical Identifiers
| CAS Number | 501352-33-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCSC5=NN=NN5C6=CC=CC=C6 |
Product Overview
UPCMLD0ENAT5839958:001 (CAS 501352-33-6), with molecular formula C25H26N10O2S and molecular weight 530.20 g/mol. IUPAC: 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5839958:001
Property Insights of UPCMLD0ENAT5839958:001
The XLogP value of 1.5179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5839958:001. The TPSA of 122.76 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5839958:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5839958:001 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 UPCMLD0ENAT5839958:001?
The CAS number of UPCMLD0ENAT5839958:001 is 501352-33-6.
What is the molecular formula of UPCMLD0ENAT5839958:001?
The molecular formula of UPCMLD0ENAT5839958:001 is C25H26N10O2S.
What is the molecular weight of UPCMLD0ENAT5839958:001?
The molecular weight of UPCMLD0ENAT5839958:001 is 530.20 g/mol.
Where can I buy UPCMLD0ENAT5839958:001?
You can request a quote for UPCMLD0ENAT5839958:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5839958:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5839958:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.