UPCMLD0ENAT5833054:001
TL;DR: UPCMLD0ENAT5833054:001 (CAS 673443-33-9) is a chemical compound with molecular formula C21H24N8O4S2 and molecular weight 516.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-(furan-2-carbonyl)piperazin-1-yl]-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5833054:001, AB00675531-01, 8-[4-(2-furylcarbonyl)piperazinyl]-1,3-dimethyl-7-[2-(5-methyl(1,3,4-thiadiazo l-2-ylthio))ethyl]-1,3,7-trihydropurine-2,6-dione, 8-[4-(furan-2-carbonyl)piperazin-1-yl]-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione, 8-[4-(furan-2-carbonyl)piperazin-1-yl]-1,3-dimethyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C21H24N8O4S2 |
|---|---|
| Molecular Weight | 516.14 g/mol |
| LogP | 0.94132 |
| Topological Polar Surface Area | 124.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.13617 |
| Heavy Atoms | 35 |
| Complexity | 1492.0443 |
Chemical Identifiers
| CAS Number | 673443-33-9 |
|---|---|
| SMILES | CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCN(CC4)C(=O)C5=CC=CO5)N(C(=O)N(C3=O)C)C |
Product Overview
UPCMLD0ENAT5833054:001 (CAS 673443-33-9), with molecular formula C21H24N8O4S2 and molecular weight 516.14 g/mol. IUPAC: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5833054:001
Property Insights of UPCMLD0ENAT5833054:001
The XLogP value of 0.94132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5833054:001. The TPSA of 124.29 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5833054:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5833054:001 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 UPCMLD0ENAT5833054:001?
The CAS number of UPCMLD0ENAT5833054:001 is 673443-33-9.
What is the molecular formula of UPCMLD0ENAT5833054:001?
The molecular formula of UPCMLD0ENAT5833054:001 is C21H24N8O4S2.
What is the molecular weight of UPCMLD0ENAT5833054:001?
The molecular weight of UPCMLD0ENAT5833054:001 is 516.14 g/mol.
Where can I buy UPCMLD0ENAT5833054:001?
You can request a quote for UPCMLD0ENAT5833054:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5833054:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5833054:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.