UPCMLD0ENAT5843199:001
TL;DR: UPCMLD0ENAT5843199:001 (CAS 685860-80-4) is a chemical compound with molecular formula C22H28N10O2S and molecular weight 496.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5843199:001, AB00668558-01, F0570-0382, 8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione, 8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione
| Molecular Formula | C22H28N10O2S |
|---|---|
| Molecular Weight | 496.21 g/mol |
| LogP | 0.3436 |
| Topological Polar Surface Area | 111.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.21173 |
| Heavy Atoms | 35 |
| Complexity | 1446.9131 |
Chemical Identifiers
| CAS Number | 685860-80-4 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC3=C(N2CCSC4=NN=NN4C5=CC=CC=C5)C(=O)N(C(=O)N3C)C |
Product Overview
UPCMLD0ENAT5843199:001 (CAS 685860-80-4), with molecular formula C22H28N10O2S and molecular weight 496.21 g/mol. IUPAC: 8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5843199:001
Property Insights of UPCMLD0ENAT5843199:001
The XLogP value of 0.3436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5843199:001. The TPSA of 111.9 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5843199:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5843199:001 has 0 hydrogen bond donor(s) and 9 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 UPCMLD0ENAT5843199:001?
The CAS number of UPCMLD0ENAT5843199:001 is 685860-80-4.
What is the molecular formula of UPCMLD0ENAT5843199:001?
The molecular formula of UPCMLD0ENAT5843199:001 is C22H28N10O2S.
What is the molecular weight of UPCMLD0ENAT5843199:001?
The molecular weight of UPCMLD0ENAT5843199:001 is 496.21 g/mol.
Where can I buy UPCMLD0ENAT5843199:001?
You can request a quote for UPCMLD0ENAT5843199:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5843199:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5843199:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.