UPCMLD0ENAT5712948:001
TL;DR: UPCMLD0ENAT5712948:001 (CAS 872623-45-5) is a chemical compound with molecular formula C21H23N7O2S2 and molecular weight 469.14 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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5712948:001, F1889-0073, 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione, 8-(3,4-dihydroisoquinolin-2(1H)-yl)-1,3-dimethyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-7-[2-(5-methyl(1,3,4-thiadiazol-2-ylthio))ethyl]-8-(2-1,2,3,4-tet rahydroisoquinolyl)-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C21H23N7O2S2 |
|---|---|
| Molecular Weight | 469.14 g/mol |
| LogP | 1.94862 |
| Topological Polar Surface Area | 90.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.13547 |
| Heavy Atoms | 32 |
| Complexity | 1432.4303 |
Chemical Identifiers
| CAS Number | 872623-45-5 |
|---|---|
| SMILES | CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCC5=CC=CC=C5C4)N(C(=O)N(C3=O)C)C |
Product Overview
UPCMLD0ENAT5712948:001 (CAS 872623-45-5), with molecular formula C21H23N7O2S2 and molecular weight 469.14 g/mol. IUPAC: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5712948:001
Property Insights of UPCMLD0ENAT5712948:001
The XLogP value of 1.94862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5712948:001. The TPSA of 90.84 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5712948:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5712948:001 has 0 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 UPCMLD0ENAT5712948:001?
The CAS number of UPCMLD0ENAT5712948:001 is 872623-45-5.
What is the molecular formula of UPCMLD0ENAT5712948:001?
The molecular formula of UPCMLD0ENAT5712948:001 is C21H23N7O2S2.
What is the molecular weight of UPCMLD0ENAT5712948:001?
The molecular weight of UPCMLD0ENAT5712948:001 is 469.14 g/mol.
Where can I buy UPCMLD0ENAT5712948:001?
You can request a quote for UPCMLD0ENAT5712948:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5712948:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5712948:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.