UPCMLD0ENAT5829922:001
TL;DR: UPCMLD0ENAT5829922:001 (CAS 673496-53-2) is a chemical compound with molecular formula C23H28N10O4S and molecular weight 540.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[1,3-dimethyl-2,6-dioxo-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purin-8-yl]piperazine-1-carboxylate
Also Known As: UPCMLD0ENAT5829922:001, F1614-0098, ethyl 4-(1,3-dimethyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylate, ethyl 4-(1,3-dimethyl-2,6-dioxo-7-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylate, ethyl 4-[1,3-dimethyl-2,6-dioxo-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purin-8-yl]piperazine-1-carboxylate
| Molecular Formula | C23H28N10O4S |
|---|---|
| Molecular Weight | 540.20 g/mol |
| LogP | 0.4802 |
| Topological Polar Surface Area | 138.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.2016 |
| Heavy Atoms | 38 |
| Complexity | 1566.7964 |
Chemical Identifiers
| CAS Number | 673496-53-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=NC3=C(N2CCSC4=NN=NN4C5=CC=CC=C5)C(=O)N(C(=O)N3C)C |
Product Overview
UPCMLD0ENAT5829922:001 (CAS 673496-53-2), with molecular formula C23H28N10O4S and molecular weight 540.20 g/mol. IUPAC: ethyl 4-[1,3-dimethyl-2,6-dioxo-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purin-8-yl]piperazine-1-carboxylate.
Chemical Property Profile of UPCMLD0ENAT5829922:001
Property Insights of UPCMLD0ENAT5829922:001
The XLogP value of 0.4802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5829922:001. The TPSA of 138.2 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5829922:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5829922:001 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5829922:001?
The CAS number of UPCMLD0ENAT5829922:001 is 673496-53-2.
What is the molecular formula of UPCMLD0ENAT5829922:001?
The molecular formula of UPCMLD0ENAT5829922:001 is C23H28N10O4S.
What is the molecular weight of UPCMLD0ENAT5829922:001?
The molecular weight of UPCMLD0ENAT5829922:001 is 540.20 g/mol.
Where can I buy UPCMLD0ENAT5829922:001?
You can request a quote for UPCMLD0ENAT5829922:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5829922:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5829922:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.