UPCMLD0ENAT5730429:001
TL;DR: UPCMLD0ENAT5730429:001 (CAS 501352-26-7) is a chemical compound with molecular formula C20H23N9O2S and molecular weight 453.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]-8-piperidin-1-ylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5730429:001, 3-methyl-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione, F0570-0018, 3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]-8-piperidin-1-ylpurine-2,6-dione, 3-methyl-7-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C20H23N9O2S |
|---|---|
| Molecular Weight | 453.17 g/mol |
| LogP | 1.1816 |
| Topological Polar Surface Area | 119.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.16956 |
| Heavy Atoms | 32 |
| Complexity | 1349.1532 |
Chemical Identifiers
| CAS Number | 501352-26-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCSC4=NN=NN4C5=CC=CC=C5 |
Product Overview
UPCMLD0ENAT5730429:001 (CAS 501352-26-7), with molecular formula C20H23N9O2S and molecular weight 453.17 g/mol. IUPAC: 3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5730429:001
Property Insights of UPCMLD0ENAT5730429:001
The XLogP value of 1.1816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5730429:001. The TPSA of 119.52 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5730429:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5730429:001 has 1 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 UPCMLD0ENAT5730429:001?
The CAS number of UPCMLD0ENAT5730429:001 is 501352-26-7.
What is the molecular formula of UPCMLD0ENAT5730429:001?
The molecular formula of UPCMLD0ENAT5730429:001 is C20H23N9O2S.
What is the molecular weight of UPCMLD0ENAT5730429:001?
The molecular weight of UPCMLD0ENAT5730429:001 is 453.17 g/mol.
Where can I buy UPCMLD0ENAT5730429:001?
You can request a quote for UPCMLD0ENAT5730429:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5730429:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5730429:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.