UPCMLD0ENAT5829939:001
TL;DR: UPCMLD0ENAT5829939:001 (CAS 838875-52-8) is a chemical compound with molecular formula C18H26N8O2S2 and molecular weight 450.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5829939:001, AB00372601-02, 8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione, F0570-0383, 8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione
| Molecular Formula | C18H26N8O2S2 |
|---|---|
| Molecular Weight | 450.16 g/mol |
| LogP | 0.52782 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.16202 |
| Heavy Atoms | 30 |
| Complexity | 1169.504 |
Chemical Identifiers
| CAS Number | 838875-52-8 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC3=C(N2CCSC4=NN=C(S4)C)C(=O)N(C(=O)N3C)C |
Product Overview
UPCMLD0ENAT5829939:001 (CAS 838875-52-8), with molecular formula C18H26N8O2S2 and molecular weight 450.16 g/mol. IUPAC: 8-(4-ethylpiperazin-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 UPCMLD0ENAT5829939:001
Property Insights of UPCMLD0ENAT5829939:001
The XLogP value of 0.52782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5829939:001. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5829939:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5829939:001 has 0 hydrogen bond donor(s) and 9 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 UPCMLD0ENAT5829939:001?
The CAS number of UPCMLD0ENAT5829939:001 is 838875-52-8.
What is the molecular formula of UPCMLD0ENAT5829939:001?
The molecular formula of UPCMLD0ENAT5829939:001 is C18H26N8O2S2.
What is the molecular weight of UPCMLD0ENAT5829939:001?
The molecular weight of UPCMLD0ENAT5829939:001 is 450.16 g/mol.
Where can I buy UPCMLD0ENAT5829939:001?
You can request a quote for UPCMLD0ENAT5829939:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5829939:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5829939:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.