UPCMLD0ENAT5830007:001
TL;DR: UPCMLD0ENAT5830007:001 (CAS 673494-67-2) is a chemical compound with molecular formula C25H25N9O2S and molecular weight 515.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5830007:001, 1,3-dimethyl-7-[2-(1-phenyl(1,2,3,4-tetraazol-5-ylthio))ethyl]-8-(2-1,2,3,4-te trahydroisoquinolyl)-1,3,7-trihydropurine-2,6-dione, 1,3-dimethyl-7-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione
| Molecular Formula | C25H25N9O2S |
|---|---|
| Molecular Weight | 515.19 g/mol |
| LogP | 1.7644 |
| Topological Polar Surface Area | 108.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.1852 |
| Heavy Atoms | 37 |
| Complexity | 1718.0874 |
Chemical Identifiers
| CAS Number | 673494-67-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC4=CC=CC=C4C3)CCSC5=NN=NN5C6=CC=CC=C6 |
Product Overview
UPCMLD0ENAT5830007:001 (CAS 673494-67-2), with molecular formula C25H25N9O2S and molecular weight 515.19 g/mol. IUPAC: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5830007:001
Property Insights of UPCMLD0ENAT5830007:001
The XLogP value of 1.7644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5830007:001. The TPSA of 108.66 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5830007:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5830007:001 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5830007:001?
The CAS number of UPCMLD0ENAT5830007:001 is 673494-67-2.
What is the molecular formula of UPCMLD0ENAT5830007:001?
The molecular formula of UPCMLD0ENAT5830007:001 is C25H25N9O2S.
What is the molecular weight of UPCMLD0ENAT5830007:001?
The molecular weight of UPCMLD0ENAT5830007:001 is 515.19 g/mol.
Where can I buy UPCMLD0ENAT5830007:001?
You can request a quote for UPCMLD0ENAT5830007:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5830007:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5830007:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.