UPCMLD0ENAT5732452:001
TL;DR: UPCMLD0ENAT5732452:001 (CAS 674357-51-8) is a chemical compound with molecular formula C16H13ClN6O2S2 and molecular weight 420.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5732452:001, AB00675525-01, F1614-0183, 7-[(4-chlorophenyl)methyl]-3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione, 7-(4-chlorobenzyl)-3-methyl-8-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C16H13ClN6O2S2 |
|---|---|
| Molecular Weight | 420.02 g/mol |
| LogP | 2.43612 |
| Topological Polar Surface Area | 98.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.02298 |
| Heavy Atoms | 27 |
| Complexity | 1254.8807 |
Chemical Identifiers
| CAS Number | 674357-51-8 |
|---|---|
| SMILES | CC1=NN=C(S1)SC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)NC(=O)N3C |
Product Overview
UPCMLD0ENAT5732452:001 (CAS 674357-51-8), with molecular formula C16H13ClN6O2S2 and molecular weight 420.02 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5732452:001
Property Insights of UPCMLD0ENAT5732452:001
The XLogP value of 2.43612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5732452:001. The TPSA of 98.46 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5732452:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5732452:001 has 1 hydrogen bond donor(s) and 7 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 UPCMLD0ENAT5732452:001?
The CAS number of UPCMLD0ENAT5732452:001 is 674357-51-8.
What is the molecular formula of UPCMLD0ENAT5732452:001?
The molecular formula of UPCMLD0ENAT5732452:001 is C16H13ClN6O2S2.
What is the molecular weight of UPCMLD0ENAT5732452:001?
The molecular weight of UPCMLD0ENAT5732452:001 is 420.02 g/mol.
Where can I buy UPCMLD0ENAT5732452:001?
You can request a quote for UPCMLD0ENAT5732452:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5732452:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5732452:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.